60506428
  -OEChem-05082403162D

 58 61  0     0  0  0  0  0  0999 V2000
    7.5673    0.1489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7669    4.3634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103   -0.2636    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -4.7246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2101    1.8437    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -2.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -1.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -1.9584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318   -0.4698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -1.0079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -3.1151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -3.9199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209    0.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -3.9199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8994    0.8932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.9199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1886    2.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4993    3.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4778    3.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8314    3.7447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7884    4.1572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1421    4.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1206    4.9015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0776    5.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4030   -2.6261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7742   -1.1283    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9385   -1.9082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9880   -2.5780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5812   -2.0457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6112    0.1499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0179   -0.3824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8250   -1.2999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6607   -0.5200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9004    1.3066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3071    0.7743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -5.3139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -4.5399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8819   -3.9199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -3.2999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.5399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.1099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.7299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7960    2.3052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2092    1.4303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8024    1.9626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8918    2.7452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2247    3.6169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7280    5.1567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3132    5.4908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6669    5.1213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2702    5.9032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4883    5.5065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2 26  1  0  0  0  0
  2 29  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 14  1  0  0  0  0
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  4 15  1  0  0  0  0
  4 41  1  0  0  0  0
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  5 22  1  0  0  0  0
  5 49  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
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  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
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 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
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 29 57  1  0  0  0  0
 29 58  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60506428

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
534

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB9AAAHgAQAAAADQzBngYyxvPJlACoAyVyVACCiCAhIiAImaC+bJgMZuLEsbuUMChk1hHI6AewwNAOgAABAAACAAAAAAIAAAQAAAAAAAAAAA==

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

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

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

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

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[(3-methoxyphenyl)methyl]-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanamide

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H29N3O2/c1-17-24(21-8-3-4-9-22(21)26-17)19-10-12-27(13-11-19)16-23(28)25-15-18-6-5-7-20(14-18)29-2/h3-9,14,19,26H,10-13,15-16H2,1-2H3,(H,25,28)

> <PUBCHEM_IUPAC_INCHIKEY>
HLXFDGWZMCZWEF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.8

> <PUBCHEM_EXACT_MASS>
391.22597718

> <PUBCHEM_MOLECULAR_FORMULA>
C24H29N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
391.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C2=CC=CC=C2N1)C3CCN(CC3)CC(=O)NCC4=CC(=CC=C4)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C2=CC=CC=C2N1)C3CCN(CC3)CC(=O)NCC4=CC(=CC=C4)OC

> <PUBCHEM_CACTVS_TPSA>
57.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
391.22597718

> <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>
11  12  8
11  13  8
12  15  8
12  17  8
15  19  8
17  20  8
19  21  8
20  21  8
23  24  8
23  25  8
24  26  8
25  27  8
26  28  8
27  28  8
4  13  8
4  15  8

$$$$