4282258
  -OEChem-05132414542D

 56 59  0     0  0  0  0  0  0999 V2000
   11.1241   -3.9033    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    2.6851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -3.8228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -0.2269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.8804    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8994   -2.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209   -1.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673   -1.3836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103   -0.9712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566   -0.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    3.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    0.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.9298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.1851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    2.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.1851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2101   -3.0785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4883    4.0762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3709    4.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1886   -3.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.1851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8564   -2.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4993   -4.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8349   -2.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4778   -4.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1456   -3.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5061   -2.2558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3071   -2.0091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9004   -2.5414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9498   -1.8715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1142   -1.0916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2277   -0.4833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0633   -1.2632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8704   -0.3458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2772    0.1865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5812    0.8110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9880    1.3433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3751    0.8425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684    0.3102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8519    3.5740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9905    4.4398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1248    4.5784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9609    4.6320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1803    5.0314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7809    4.2508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.3051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.8751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6638   -1.9510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0852   -4.6967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2490   -2.2851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6704   -5.0307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  2 15  2  0  0  0  0
  3 17  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  6 30  1  0  0  0  0
  7  9  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 10  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  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 20  2  0  0  0  0
 16 21  2  0  0  0  0
 17 22  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 19 48  1  0  0  0  0
 20 23  1  0  0  0  0
 20 49  1  0  0  0  0
 21 24  1  0  0  0  0
 21 50  1  0  0  0  0
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 24  2  0  0  0  0
 23 51  1  0  0  0  0
 24 52  1  0  0  0  0
 25 27  1  0  0  0  0
 25 53  1  0  0  0  0
 26 28  2  0  0  0  0
 26 54  1  0  0  0  0
 27 29  2  0  0  0  0
 27 55  1  0  0  0  0
 28 29  1  0  0  0  0
 28 56  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
4282258

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
606

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MQAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgBQAAAHwAAAAAADwzBmAwywIMAAACIAqVSUACCAAAlAgAIiAEIZMgIYDLAlZGUIQhghgDIyYcciMCPgAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-3,3-dimethyl-indolin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
1-[2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]ethyl]-3,3-dimethyl-2-indolone

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-3,3-dimethylindol-2-one

> <PUBCHEM_IUPAC_NAME>
1-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-3,3-dimethylindol-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-3,3-dimethyl-indol-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[2-[4-(4-fluorobenzoyl)piperidino]ethyl]-3,3-dimethyl-oxindole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H27FN2O2/c1-24(2)20-5-3-4-6-21(20)27(23(24)29)16-15-26-13-11-18(12-14-26)22(28)17-7-9-19(25)10-8-17/h3-10,18H,11-16H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
KDXISMANFPJVJY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
394.20565627

> <PUBCHEM_MOLECULAR_FORMULA>
C24H27FN2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
394.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C2=CC=CC=C2N(C1=O)CCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(C2=CC=CC=C2N(C1=O)CCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F)C

> <PUBCHEM_CACTVS_TPSA>
40.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
394.20565627

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <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>
14  16  8
14  20  8
16  21  8
20  23  8
21  24  8
22  25  8
22  26  8
23  24  8
25  27  8
26  28  8
27  29  8
28  29  8

$$$$