16191365
  -OEChem-05042411122D

 56 59  0     1  0  0  0  0  0999 V2000
    3.7320    5.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4725   -3.8047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4725   -2.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0561   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181   -1.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196   -2.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728   -2.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742   -1.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196   -3.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181   -4.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067   -1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082   -0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976   -4.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947   -4.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196   -0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181   -1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    1.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6651   -4.3940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6651   -1.6059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6761   -3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  2 31  1  0  0  0  0
  3 15  2  0  0  0  0
  4 16  2  0  0  0  0
  5 10  1  0  0  0  0
  5 13  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 23  1  0  0  0  0
  6 46  1  0  0  0  0
  7 20  1  0  0  0  0
  7 26  1  0  0  0  0
  7 51  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 32  1  0  0  0  0
  9 11  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 13  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 14  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 16  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 45  1  0  0  0  0
 19 22  2  0  0  0  0
 19 47  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 48  1  0  0  0  0
 23 25  1  0  0  0  0
 23 49  1  0  0  0  0
 23 50  1  0  0  0  0
 24 26  2  0  0  0  0
 24 52  1  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 26 53  1  0  0  0  0
 27 29  1  0  0  0  0
 27 54  1  0  0  0  0
 28 30  2  0  0  0  0
 28 55  1  0  0  0  0
 29 31  2  0  0  0  0
 30 31  1  0  0  0  0
 30 56  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
16191365

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
634

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MYAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB9AAAHwAQAAAADQjBngw8wPPJkACoAzV3VACCgCA1AiAI2aE4ZNgIIPLAlZGEIQhglgDIyYccicCOQAAAQAACAACAAACAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[(3,4-difluorophenyl)methyl]-3-[1-(1H-indole-6-carbonyl)-3-piperidyl]propanamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[(3,4-difluorophenyl)methyl]-3-[1-[1H-indol-6-yl(oxo)methyl]-3-piperidinyl]propanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[(3,4-difluorophenyl)methyl]-3-[1-(1<I>H</I>-indole-6-carbonyl)piperidin-3-yl]propanamide

> <PUBCHEM_IUPAC_NAME>
N-[(3,4-difluorophenyl)methyl]-3-[1-(1H-indole-6-carbonyl)piperidin-3-yl]propanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[[3,4-bis(fluoranyl)phenyl]methyl]-3-[1-(1H-indol-6-ylcarbonyl)piperidin-3-yl]propanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(3,4-difluorobenzyl)-3-[1-(1H-indole-6-carbonyl)-3-piperidyl]propionamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H25F2N3O2/c25-20-7-3-17(12-21(20)26)14-28-23(30)8-4-16-2-1-11-29(15-16)24(31)19-6-5-18-9-10-27-22(18)13-19/h3,5-7,9-10,12-13,16,27H,1-2,4,8,11,14-15H2,(H,28,30)

> <PUBCHEM_IUPAC_INCHIKEY>
GETVXSKGUFBOGE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.6

> <PUBCHEM_EXACT_MASS>
425.19148337

> <PUBCHEM_MOLECULAR_FORMULA>
C24H25F2N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
425.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC(CN(C1)C(=O)C2=CC3=C(C=C2)C=CN3)CCC(=O)NCC4=CC(=C(C=C4)F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC(CN(C1)C(=O)C2=CC3=C(C=C2)C=CN3)CCC(=O)NCC4=CC(=C(C=C4)F)F

> <PUBCHEM_CACTVS_TPSA>
65.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
425.19148337

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <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>
17  18  8
17  19  8
18  20  8
19  22  8
20  21  8
21  22  8
21  24  8
24  26  8
25  27  8
25  28  8
27  29  8
28  30  8
29  31  8
30  31  8
7  20  8
7  26  8
8  12  3

$$$$