60506254
  -OEChem-05092423462D

 61 64  0     0  0  0  0  0  0999 V2000
   11.0776    4.4665    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5673   -0.6985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4312    5.0046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103   -1.1110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -5.5720    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2101    0.9963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -3.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -2.2677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -2.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1886    1.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    1.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4030   -3.4735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9004    0.4592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3071   -0.0731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -6.1613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -5.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -3.1473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2171    4.6215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2 32  1  0  0  0  0
  3 20  2  0  0  0  0
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  4 32  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 33  1  0  0  0  0
  9 11  1  0  0  0  0
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  9 35  1  0  0  0  0
 10 12  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
60506254

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
606

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MYAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB9AAAHwAQAAAADQzBnhYyxvPJlACoAyVyVACCiCAhIiAImSC+bJgMZuLEsbuUMChk1hHI6AeQ0MIOoAAAAAACAABAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[4-(2-methyl-1H-indol-3-yl)-1-piperidyl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[4-(2-methyl-1H-indol-3-yl)-1-piperidinyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[[4-(difluoromethoxy)phenyl]methyl]-<I>N</I>-methyl-2-[4-(2-methyl-1<I>H</I>-indol-3-yl)piperidin-1-yl]acetamide

> <PUBCHEM_IUPAC_NAME>
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[[4-[bis(fluoranyl)methoxy]phenyl]methyl]-N-methyl-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[4-(difluoromethoxy)benzyl]-N-methyl-2-[4-(2-methyl-1H-indol-3-yl)piperidino]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H29F2N3O2/c1-17-24(21-5-3-4-6-22(21)28-17)19-11-13-30(14-12-19)16-23(31)29(2)15-18-7-9-20(10-8-18)32-25(26)27/h3-10,19,25,28H,11-16H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
ASKCOQFNLDLGII-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5

> <PUBCHEM_EXACT_MASS>
441.22278350

> <PUBCHEM_MOLECULAR_FORMULA>
C25H29F2N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
441.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C2=CC=CC=C2N1)C3CCN(CC3)CC(=O)N(C)CC4=CC=C(C=C4)OC(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C2=CC=CC=C2N1)C3CCN(CC3)CC(=O)N(C)CC4=CC=C(C=C4)OC(F)F

> <PUBCHEM_CACTVS_TPSA>
48.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
441.22278350

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <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
14  19  8
17  21  8
19  22  8
21  23  8
22  23  8
26  27  8
26  28  8
27  29  8
28  30  8
29  31  8
30  31  8
6  15  8
6  17  8

$$$$