60353743
  -OEChem-05251321482D

 64 67  0     0  0  0  0  0  0999 V2000
   13.2583    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7383   -1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1369   -0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588    1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617    1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617   -1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588   -1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5822    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1836    0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9157    2.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3142    1.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4704    1.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8689    2.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3142    4.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9157    3.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8689    3.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4704    4.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7908    4.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9938    4.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -3.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -3.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -3.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -4.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 19  2  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 19  1  0  0  0  0
  6 21  1  0  0  0  0
  6 25  1  0  0  0  0
  6 53  1  0  0  0  0
  7 21  1  0  0  0  0
  7 24  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 33  1  0  0  0  0
  9 11  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 12  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 14 17  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 16  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 18  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 17 18  1  0  0  0  0
 17 48  1  0  0  0  0
 17 49  1  0  0  0  0
 18 50  1  0  0  0  0
 18 51  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 52  1  0  0  0  0
 23 24  1  0  0  0  0
 23 54  1  0  0  0  0
 24 55  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  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 30  2  0  0  0  0
 28 58  1  0  0  0  0
 29 30  1  0  0  0  0
 29 59  1  0  0  0  0
 31 32  1  0  0  0  0
 31 60  1  0  0  0  0
 31 61  1  0  0  0  0
 32 62  1  0  0  0  0
 32 63  1  0  0  0  0
 32 64  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60353743

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
608

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8WLEAAAAAAAABwAAAHgAQAAAADQzhmgY/9pPIFACoAjd3dACCiCk1IiAJ2CE+bNiMJvrE/ZuGOajs1hPI6ee8QQAOAEAAAAAAAAAAgAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[1-[2-(4-ethoxyanilino)pyridine-3-carbonyl]-4-piperidyl]-(1-piperidyl)methanone

> <PUBCHEM_IUPAC_CAS_NAME>
[1-[[2-(4-ethoxyanilino)-3-pyridinyl]-oxomethyl]-4-piperidinyl]-(1-piperidinyl)methanone

> <PUBCHEM_IUPAC_NAME>
[1-[2-(4-ethoxyanilino)pyridine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[1-[2-[(4-ethoxyphenyl)amino]pyridin-3-yl]carbonylpiperidin-4-yl]-piperidin-1-yl-methanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
piperidino-[1-[2-(p-phenetidino)nicotinoyl]-4-piperidyl]methanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H32N4O3/c1-2-32-21-10-8-20(9-11-21)27-23-22(7-6-14-26-23)25(31)29-17-12-19(13-18-29)24(30)28-15-4-3-5-16-28/h6-11,14,19H,2-5,12-13,15-18H2,1H3,(H,26,27)

> <PUBCHEM_IUPAC_INCHIKEY>
MMZOLYMCLFITSS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
436.247441

> <PUBCHEM_MOLECULAR_FORMULA>
C25H32N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
436.54658

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)N3CCC(CC3)C(=O)N4CCCCC4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)N3CCC(CC3)C(=O)N4CCCCC4

> <PUBCHEM_CACTVS_TPSA>
74.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
436.247441

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <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>
4

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
20  21  8
20  22  8
22  23  8
23  24  8
25  26  8
25  27  8
26  28  8
27  29  8
28  30  8
29  30  8
7  21  8
7  24  8

$$$$