72884576
  -OEChem-06192423242D

 42 44  0     0  0  0  0  0  0999 V2000
    6.6261    5.0023    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1261    2.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921   -1.9618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5202   -3.2406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -0.4618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -2.9618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601   -4.5007    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    1.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921    1.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    1.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921    0.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    0.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1261    2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -1.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1261    2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    3.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6261    3.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1261    4.1362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -3.5496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1261    4.1362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -3.5496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -4.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1027    0.9305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042    1.6208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5480    1.6208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1495    0.9305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   -0.5444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1027    0.1458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1495    0.1458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5480   -0.5444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5061    2.4042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5480   -1.3792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1495   -2.0695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4361    1.8672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0061    3.2702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2461    3.2702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8161    4.6732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6536   -4.6296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3249   -5.1173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6245   -5.0023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2  9  1  0  0  0  0
  2 33  1  0  0  0  0
  3 15  2  0  0  0  0
  4 21  2  0  0  0  0
  5 23  2  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 21  1  0  0  0  0
  7 23  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 42  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 13  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 19  1  0  0  0  0
 17 36  1  0  0  0  0
 18 20  2  0  0  0  0
 18 37  1  0  0  0  0
 19 22  2  0  0  0  0
 19 38  1  0  0  0  0
 20 22  1  0  0  0  0
 20 39  1  0  0  0  0
 21 24  1  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
72884576

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
525

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OQAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAAABAAAAHwAQCAAADETBmAwxAIPAAgCIAiFSEAACAAAgAAAIiICICIiIZiKAkTCUcAAuxyOImAeQwOAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-[2-[4-(4-fluorophenyl)-4-hydroxy-1-piperidyl]-2-oxo-ethyl]imidazolidine-2,4-dione

> <PUBCHEM_IUPAC_CAS_NAME>
3-[2-[4-(4-fluorophenyl)-4-hydroxy-1-piperidinyl]-2-oxoethyl]imidazolidine-2,4-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

> <PUBCHEM_IUPAC_NAME>
3-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[2-[4-(4-fluorophenyl)-4-oxidanyl-piperidin-1-yl]-2-oxidanylidene-ethyl]imidazolidine-2,4-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-[2-[4-(4-fluorophenyl)-4-hydroxy-piperidino]-2-keto-ethyl]hydantoin

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H18FN3O4/c17-12-3-1-11(2-4-12)16(24)5-7-19(8-6-16)14(22)10-20-13(21)9-18-15(20)23/h1-4,24H,5-10H2,(H,18,23)

> <PUBCHEM_IUPAC_INCHIKEY>
ZXOOYNVUSNYLPZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.1

> <PUBCHEM_EXACT_MASS>
335.12813423

> <PUBCHEM_MOLECULAR_FORMULA>
C16H18FN3O4

> <PUBCHEM_MOLECULAR_WEIGHT>
335.33

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CN(CCC1(C2=CC=C(C=C2)F)O)C(=O)CN3C(=O)CNC3=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CN(CCC1(C2=CC=C(C=C2)F)O)C(=O)CN3C(=O)CNC3=O

> <PUBCHEM_CACTVS_TPSA>
90

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
335.12813423

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
14  17  8
14  18  8
17  19  8
18  20  8
19  22  8
20  22  8

$$$$
