60517561
  -OEChem-05052406182D

 55 58  0     0  0  0  0  0  0999 V2000
    7.5673    0.9963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1241    3.5160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    0.5838    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -3.8772    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2101    2.6911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -1.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -0.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -1.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318    0.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -0.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.2677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -3.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209    1.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -3.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8994    1.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1886    2.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4993    3.8478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8564    2.1530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4778    4.0541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8349    2.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1456    3.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4348    4.4665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4030   -1.7787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7742   -0.2809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9385   -1.0608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9880   -1.7306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5812   -1.1983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6112    0.9973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0179    0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8250   -0.4525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6607    0.3275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9004    2.1540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3071    1.6217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -4.4665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -3.6924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8819   -3.0724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -2.4524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.6924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.2624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.8824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7960    3.1526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0852    4.3093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6638    1.5637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6704    4.6434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2490    1.8978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0241    4.2739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6274    5.0558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8455    4.6591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  2 27  1  0  0  0  0
  2 28  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
  4 13  1  0  0  0  0
  4 15  1  0  0  0  0
  4 40  1  0  0  0  0
  5 18  1  0  0  0  0
  5 22  1  0  0  0  0
  5 48  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  6 29  1  0  0  0  0
  7  9  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 10  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
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 14 39  1  0  0  0  0
 15 19  2  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 20  1  0  0  0  0
 17 44  1  0  0  0  0
 19 21  1  0  0  0  0
 19 45  1  0  0  0  0
 20 21  2  0  0  0  0
 20 46  1  0  0  0  0
 21 47  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 49  1  0  0  0  0
 24 26  2  0  0  0  0
 24 50  1  0  0  0  0
 25 27  2  0  0  0  0
 25 51  1  0  0  0  0
 26 27  1  0  0  0  0
 26 52  1  0  0  0  0
 28 53  1  0  0  0  0
 28 54  1  0  0  0  0
 28 55  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60517561

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
512

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB9AAAHgAQAAAADQzBngYyxvPJlACoAyVyVACCiCAhIiAImSC+bJgMZuLEsbuUMChk1BHI6AewwMAOgEAAAAACAAAAgAAAAAQAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H27N3O2/c1-16-23(20-5-3-4-6-21(20)24-16)17-11-13-26(14-12-17)15-22(27)25-18-7-9-19(28-2)10-8-18/h3-10,17,24H,11-15H2,1-2H3,(H,25,27)

> <PUBCHEM_IUPAC_INCHIKEY>
GQTHGPCHPJTSRD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
377.21032711

> <PUBCHEM_MOLECULAR_FORMULA>
C23H27N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
377.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C2=CC=CC=C2N1)C3CCN(CC3)CC(=O)NC4=CC=C(C=C4)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C2=CC=CC=C2N1)C3CCN(CC3)CC(=O)NC4=CC=C(C=C4)OC

> <PUBCHEM_CACTVS_TPSA>
57.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
377.21032711

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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
22  23  8
22  24  8
23  25  8
24  26  8
25  27  8
26  27  8
4  13  8
4  15  8

$$$$