46883473
  -OEChem-04262407192D

 43 45  0     1  0  0  0  0  0999 V2000
    4.0000   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660    0.2010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7320   -1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7320   -4.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.7010    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8660    2.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7320    1.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7320    0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660   -0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    2.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    3.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    4.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    4.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7320   -2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660   -2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5981   -2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660   -3.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5981   -3.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2646    2.6759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4675    2.6759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3894    0.8086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7880    0.1184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3426    1.5933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9441    2.2836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9441    0.1184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3426    0.8086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.3210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3800    1.7010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.0810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900    2.0300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    3.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    3.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100    4.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2690   -0.9890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900    4.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3291   -2.4890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1350   -2.4890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3291   -4.1090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1350   -4.1090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
  3 12  1  0  0  0  0
  3 18  1  0  0  0  0
  3 38  1  0  0  0  0
  4 21  2  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 13 15  1  0  0  0  0
 13 34  1  0  0  0  0
 14 16  2  0  0  0  0
 14 35  1  0  0  0  0
 15 17  2  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 40  1  0  0  0  0
 20 22  2  0  0  0  0
 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
46883473

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
375

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAAAAAAA8WIAAAAAAAAABwAAAHgAQAAAADgjBGgQ/wJPIEACoAjRnVACCgCAxAiAI2CA4ZJiIIGLA0dGEJAholgLIyCcQgMAPgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-methyl-3-phenyl-N-(4-pyridyl)piperidine-1-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
3-methyl-3-phenyl-N-pyridin-4-yl-1-piperidinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-methyl-3-phenyl-<I>N</I>-pyridin-4-ylpiperidine-1-carboxamide

> <PUBCHEM_IUPAC_NAME>
3-methyl-3-phenyl-N-pyridin-4-ylpiperidine-1-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-methyl-3-phenyl-N-pyridin-4-yl-piperidine-1-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-methyl-3-phenyl-N-(4-pyridyl)piperidine-1-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H21N3O/c1-18(15-6-3-2-4-7-15)10-5-13-21(14-18)17(22)20-16-8-11-19-12-9-16/h2-4,6-9,11-12H,5,10,13-14H2,1H3,(H,19,20,22)

> <PUBCHEM_IUPAC_INCHIKEY>
GHVKHDJQMCSVLZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.8

> <PUBCHEM_EXACT_MASS>
295.168462302

> <PUBCHEM_MOLECULAR_FORMULA>
C18H21N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
295.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(CCCN(C1)C(=O)NC2=CC=NC=C2)C3=CC=CC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(CCCN(C1)C(=O)NC2=CC=NC=C2)C3=CC=CC=C3

> <PUBCHEM_CACTVS_TPSA>
45.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
295.168462302

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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>
10  13  8
10  14  8
13  15  8
14  16  8
15  17  8
16  17  8
18  19  8
18  20  8
19  21  8
20  22  8
4  21  8
4  22  8
5  11  3

$$$$