16226883
  -OEChem-06192423182D

 26 26  0     1  0  0  0  0  0999 V2000
    5.4641   -2.9050    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    2.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    2.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.2027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    0.9873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    1.6776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -0.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    0.2027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -2.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -1.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.9050    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  8  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  8  1  0  0  0  0
  6 11  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  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>
16226883

> <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>
AAADccBzMAAEAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAAHgIQAAAADQPBgEQAAANAAAAIAAEQEAAAAAAAAAAAAAEIAABAABoAwABEAAAAFgCAAAAYAQAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(2-chloroacetyl)piperidine-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
1-(2-chloro-1-oxoethyl)-3-piperidinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(2-chloroacetyl)piperidine-3-carboxamide

> <PUBCHEM_IUPAC_NAME>
1-(2-chloroacetyl)piperidine-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(2-chloranylethanoyl)piperidine-3-carboxamide

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

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

> <PUBCHEM_IUPAC_INCHIKEY>
BIXIPUBTNRBWMM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.3

> <PUBCHEM_EXACT_MASS>
204.0665554

> <PUBCHEM_MOLECULAR_FORMULA>
C8H13ClN2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
204.65

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC(CN(C1)C(=O)CCl)C(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC(CN(C1)C(=O)CCl)C(=O)N

> <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

$$$$
