102669
  -OEChem-05072416312D

 45 46  0     1  0  0  0  0  0999 V2000
    7.2320   -0.2321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -3.2320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3660   -1.7320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -0.2321    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0000    0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6340   -0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3660   -0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6340   -1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    2.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    2.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    2.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5826    0.8460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8923    1.2446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4219   -0.1494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0234   -0.8397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4174    0.4219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1077    0.0234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0234   -1.6244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4219   -2.3147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9030   -2.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8800    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3100    0.0970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9174    1.2880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6077    0.8894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750    1.9675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750    2.7646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6900    2.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1200    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    2.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.0560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0369    3.5420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1900    3.7690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9631    2.9220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3100    2.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 12  2  0  0  0  0
  3  8  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 11  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 13 17  1  0  0  0  0
 13 31  1  0  0  0  0
 14 18  2  0  0  0  0
 14 32  1  0  0  0  0
 15 19  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 20  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 21  2  0  0  0  0
 17 37  1  0  0  0  0
 18 21  1  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 21 45  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
102669

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
373

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABAAAAHgAQAAAADgDBmAQyAIPAAACIAiFSEAACAAAgAAAIiAEIAIgIIDKAlRGEIAAglCCIiAcci8CPgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-[2-(diethylamino)ethyl]-3-phenyl-piperidine-2,6-dione

> <PUBCHEM_IUPAC_CAS_NAME>
3-[2-(diethylamino)ethyl]-3-phenylpiperidine-2,6-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-[2-(diethylamino)ethyl]-3-phenylpiperidine-2,6-dione

> <PUBCHEM_IUPAC_NAME>
3-[2-(diethylamino)ethyl]-3-phenylpiperidine-2,6-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[2-(diethylamino)ethyl]-3-phenyl-piperidine-2,6-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-[2-(diethylamino)ethyl]-3-phenyl-piperidine-2,6-quinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H24N2O2/c1-3-19(4-2)13-12-17(14-8-6-5-7-9-14)11-10-15(20)18-16(17)21/h5-9H,3-4,10-13H2,1-2H3,(H,18,20,21)

> <PUBCHEM_IUPAC_INCHIKEY>
BFMBKRQFMIILCH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
2.1

> <PUBCHEM_EXACT_MASS>
288.183778013

> <PUBCHEM_MOLECULAR_FORMULA>
C17H24N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
288.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN(CC)CCC1(CCC(=O)NC1=O)C2=CC=CC=C2

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN(CC)CCC1(CCC(=O)NC1=O)C2=CC=CC=C2

> <PUBCHEM_CACTVS_TPSA>
49.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
288.183778013

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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>
13  17  8
14  18  8
17  21  8
18  21  8
5  6  3
9  13  8
9  14  8

$$$$