60506369
  -OEChem-04242422172D

 61 64  0     0  0  0  0  0  0999 V2000
    7.5673   -0.2233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4312    5.4798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103   -0.6357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -5.0967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2101    1.4715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -2.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -1.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -2.3305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318   -0.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -1.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -3.4873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -4.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209    0.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -4.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8994    0.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1886    1.6778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4993    2.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4778    2.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8314    3.3726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7884    3.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1421    4.3231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1206    4.5293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4097    5.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4030   -2.9982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7742   -1.5004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9385   -2.2804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9880   -2.9502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5812   -2.4179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6112   -0.2223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0179   -0.7546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8250   -1.6720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6607   -0.8921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9004    0.9345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3071    0.4022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -5.6861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -4.9120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8819   -4.2920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -3.6720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.9120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.4820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -5.1020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2092    1.0581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8024    1.5904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0037    2.6299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1282    2.6773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0808    1.8018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8918    2.3730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2247    3.2447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3951    3.9129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7280    4.7846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5376    5.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0164    5.8139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2819    6.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  2 29  1  0  0  0  0
  2 30  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 42  1  0  0  0  0
  5 18  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  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 31  1  0  0  0  0
  7  9  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8 10  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 15  1  0  0  0  0
 12 17  2  0  0  0  0
 13 16  1  0  0  0  0
 14 18  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 19  2  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 20  1  0  0  0  0
 17 46  1  0  0  0  0
 19 21  1  0  0  0  0
 19 47  1  0  0  0  0
 20 21  2  0  0  0  0
 20 48  1  0  0  0  0
 21 49  1  0  0  0  0
 22 24  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
 23 54  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 55  1  0  0  0  0
 26 28  2  0  0  0  0
 26 56  1  0  0  0  0
 27 29  2  0  0  0  0
 27 57  1  0  0  0  0
 28 29  1  0  0  0  0
 28 58  1  0  0  0  0
 30 59  1  0  0  0  0
 30 60  1  0  0  0  0
 30 61  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60506369

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
555

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB9AAAHgAQAAAADQzBngYyxvPJlACoAyVyVACCiCAhIiAImSC+bJgMZuLEsbuUMChk1hHI6AeQ0MIOoAAAAAACAABAAAAAAAQAAAAAAAAAAA==

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H31N3O2/c1-18-25(22-6-4-5-7-23(22)26-18)20-12-14-28(15-13-20)17-24(29)27(2)16-19-8-10-21(30-3)11-9-19/h4-11,20,26H,12-17H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
QCPKDBVDMSVFQK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
405.24162724

> <PUBCHEM_MOLECULAR_FORMULA>
C25H31N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
405.5

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

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

> <PUBCHEM_CACTVS_TPSA>
48.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
405.24162724

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <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
24  25  8
24  26  8
25  27  8
26  28  8
27  29  8
28  29  8
4  13  8
4  15  8

$$$$