70765505
  -OEChem-05092414022D

 55 58  0     1  0  0  0  0  0999 V2000
    3.9174    4.1944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -0.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -0.6839    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2531    2.7058    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -3.4501    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    0.2666    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2566    0.4729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    1.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9244   -0.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353   -1.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6138   -1.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209    1.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5637    3.6563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2746    2.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.8406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8959    4.4006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6067    3.2439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -2.6453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.6453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -4.4006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.1453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6714    0.1388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7830    0.8005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0254    1.0481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0633    1.3030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2277    0.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4714   -0.5635    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3070    0.2165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1089   -1.7558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8665   -2.0034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6344   -1.8416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2276   -1.3093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4678    1.6694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3035    2.4494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1107    3.3643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9463    4.1442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7482    2.1719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5058    1.9243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4222    4.7282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6646    4.9758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0598    3.5359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2242    2.7560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -2.6453    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.2653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3996   -4.5932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1815   -4.9899    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5783   -4.2080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.8353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.4553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 13  2  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  3 13  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 27  1  0  0  0  0
  7  9  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 12  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 11  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 18  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 48  1  0  0  0  0
 21 23  2  0  0  0  0
 22 25  1  0  0  0  0
 22 49  1  0  0  0  0
 23 26  1  0  0  0  0
 23 50  1  0  0  0  0
 24 51  1  0  0  0  0
 24 52  1  0  0  0  0
 24 53  1  0  0  0  0
 25 26  2  0  0  0  0
 25 54  1  0  0  0  0
 26 55  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70765505

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
480

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAA8WIAAAAAAAFgB8AAAHgAAAAAADCjhngY+wPMMFACoAzV3VACCgCA1AiAI2CE4ZNgKIPrA1ZGHIYhghgDYyccciMCOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1-methylindol-3-yl)-[2-(2-morpholinoethyl)-1-piperidyl]methanone

> <PUBCHEM_IUPAC_CAS_NAME>
(1-methyl-3-indolyl)-[2-[2-(4-morpholinyl)ethyl]-1-piperidinyl]methanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1-methylindol-3-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone

> <PUBCHEM_IUPAC_NAME>
(1-methylindol-3-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1-methylindol-3-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1-methylindol-3-yl)-[2-(2-morpholinoethyl)piperidino]methanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H29N3O2/c1-22-16-19(18-7-2-3-8-20(18)22)21(25)24-10-5-4-6-17(24)9-11-23-12-14-26-15-13-23/h2-3,7-8,16-17H,4-6,9-15H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
SOOQRPNKHNCUDG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
355.22597718

> <PUBCHEM_MOLECULAR_FORMULA>
C21H29N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
355.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C=C(C2=CC=CC=C21)C(=O)N3CCCCC3CCN4CCOCC4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C=C(C2=CC=CC=C21)C(=O)N3CCCCC3CCN4CCOCC4

> <PUBCHEM_CACTVS_TPSA>
37.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
355.22597718

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
16  19  8
16  20  8
19  21  8
19  22  8
21  23  8
22  25  8
23  26  8
25  26  8
5  20  8
5  21  8
6  8  3

$$$$