16226882
  -OEChem-06192423182D

 26 26  0     1  0  0  0  0  0999 V2000
    6.0010   -2.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.7500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2690    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569    2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584    1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335    2.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365    2.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116    1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2131    2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2131    0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116    0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116   -1.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2131   -0.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 11  2  0  0  0  0
  3 12  2  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  5 11  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
16226882

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
220

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAEAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAAHgIQAAAACCvBgEQAAANAAAAIAAEQEAAAAAAAAAAAAAGIAABAQBIAgCBUAAAAFgCAAAEYCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(2-chloroacetyl)piperidine-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
1-(2-chloro-1-oxoethyl)-2-piperidinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(2-chloroacetyl)piperidine-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
1-(2-chloroacetyl)piperidine-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(2-chloranylethanoyl)piperidine-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(2-chloroacetyl)pipecolinamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H13ClN2O2/c9-5-7(12)11-4-2-1-3-6(11)8(10)13/h6H,1-5H2,(H2,10,13)

> <PUBCHEM_IUPAC_INCHIKEY>
IIKBHYWROBDIRR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
-0.4

> <PUBCHEM_EXACT_MASS>
204.0665554

> <PUBCHEM_MOLECULAR_FORMULA>
C8H13ClN2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
204.65

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCN(C(C1)C(=O)N)C(=O)CCl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCN(C(C1)C(=O)N)C(=O)CCl

> <PUBCHEM_CACTVS_TPSA>
63.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
204.0665554

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
6  11  3

$$$$
