70108325
  -OEChem-05102410442D

 56 59  0     1  0  0  0  0  0999 V2000
    3.8660   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -1.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5981   -0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5000    1.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0622   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9282    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0622    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9282    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8395   -0.3489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750    1.5146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250    1.5146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4174    0.4621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8923   -0.3606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5200   -1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1215   -1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0747   -1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6762   -1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8626    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0656    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1215   -2.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5200   -3.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1996   -3.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9966   -3.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9316   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7287   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3291    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0622   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6592    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4651   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0622    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4651    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  2 17  1  0  0  0  0
  3 12  1  0  0  0  0
  3 15  1  0  0  0  0
  3 45  1  0  0  0  0
  4 20  1  0  0  0  0
  4 24  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  6 29  1  0  0  0  0
  7 13  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 14  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 16  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 15  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 18  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 19 48  1  0  0  0  0
 20 49  1  0  0  0  0
 21 25  1  0  0  0  0
 21 50  1  0  0  0  0
 22 26  2  0  0  0  0
 22 51  1  0  0  0  0
 23 24  1  0  0  0  0
 23 52  1  0  0  0  0
 24 53  1  0  0  0  0
 25 27  2  0  0  0  0
 25 54  1  0  0  0  0
 26 27  1  0  0  0  0
 26 55  1  0  0  0  0
 27 56  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70108325

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
472

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAGAAAAAAAAAA8WIAAAAAAAAABwAAAHgAQAAAADSjBmgQ8wJPIEACoAjV3VACCgCAxEiAI2KE4dJgIYPLA0ZGUIAhglgDIyAcQgMAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[3-phenyl-1-(3-piperidyl)propyl]-N-(3-pyridyl)cyclopropanecarboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[3-phenyl-1-(3-piperidinyl)propyl]-N-(3-pyridinyl)cyclopropanecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(3-phenyl-1-piperidin-3-ylpropyl)-<I>N</I>-pyridin-3-ylcyclopropanecarboxamide

> <PUBCHEM_IUPAC_NAME>
N-(3-phenyl-1-piperidin-3-ylpropyl)-N-pyridin-3-ylcyclopropanecarboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(3-phenyl-1-piperidin-3-yl-propyl)-N-pyridin-3-yl-cyclopropanecarboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[3-phenyl-1-(3-piperidyl)propyl]-N-(3-pyridyl)cyclopropanecarboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H29N3O/c27-23(19-11-12-19)26(21-9-5-15-25-17-21)22(20-8-4-14-24-16-20)13-10-18-6-2-1-3-7-18/h1-3,5-7,9,15,17,19-20,22,24H,4,8,10-14,16H2

> <PUBCHEM_IUPAC_INCHIKEY>
ICMMTSGWIXVFSV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
363.231062557

> <PUBCHEM_MOLECULAR_FORMULA>
C23H29N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
363.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC(CNC1)C(CCC2=CC=CC=C2)N(C3=CN=CC=C3)C(=O)C4CC4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC(CNC1)C(CCC2=CC=CC=C2)N(C3=CN=CC=C3)C(=O)C4CC4

> <PUBCHEM_CACTVS_TPSA>
45.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
363.231062557

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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>
17  19  8
17  20  8
18  21  8
18  22  8
19  23  8
21  25  8
22  26  8
23  24  8
25  27  8
26  27  8
4  20  8
4  24  8
6  10  3
7  13  3

$$$$