66592208
  -OEChem-04262418272D

 35 36  0     0  0  0  0  0  0999 V2000
    5.4641    0.9050    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.4050    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
    4.5981    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    0.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    0.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    0.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    0.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -0.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -1.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -0.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    3.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 12  2  0  0  0  0
  3 16  2  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 29  1  0  0  0  0
  6 16  1  0  0  0  0
  6 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 20  1  0  0  0  0
  8 10  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 30  1  0  0  0  0
 17 19  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  2  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
66592208

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
343

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMAAEAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABAAAAHgIQAAAACCrBkCQwwIPAAACIACVSUACCAAAhBwAIiICIZogIYCLB07HUIAhglgDIyAcQAAAAAAAAAAAAABAAAAAAAAAAIAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[4-(2-chloroanilino)-1-piperidyl]-2-oxo-acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-[4-(2-chloroanilino)-1-piperidinyl]-2-oxoacetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[4-(2-chloroanilino)piperidin-1-yl]-2-oxoacetamide

> <PUBCHEM_IUPAC_NAME>
2-[4-(2-chloroanilino)piperidin-1-yl]-2-oxoacetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[4-[(2-chlorophenyl)amino]piperidin-1-yl]-2-oxidanylidene-ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[4-(2-chloroanilino)piperidino]-2-keto-acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H16ClN3O2/c14-10-3-1-2-4-11(10)16-9-5-7-17(8-6-9)13(19)12(15)18/h1-4,9,16H,5-8H2,(H2,15,18)

> <PUBCHEM_IUPAC_INCHIKEY>
HNFSMVLTJAHSFL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.9

> <PUBCHEM_EXACT_MASS>
281.0931045

> <PUBCHEM_MOLECULAR_FORMULA>
C13H16ClN3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
281.74

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CN(CCC1NC2=CC=CC=C2Cl)C(=O)C(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CN(CCC1NC2=CC=CC=C2Cl)C(=O)C(=O)N

> <PUBCHEM_CACTVS_TPSA>
75.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
281.0931045

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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>
13  14  8
13  15  8
14  17  8
15  18  8
17  19  8
18  19  8

$$$$