46360718
  -OEChem-05042407492D

 67 70  0     0  0  0  0  0  0999 V2000
    7.1962    4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    4.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    5.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5388    2.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1403    3.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9841    3.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5856    2.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8723    4.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2708    4.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928    6.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957    6.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957    3.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928    3.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7162    6.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3176    5.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1403    1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5388    1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5856    1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9841    1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8363    5.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    6.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2163    6.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -6.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -5.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -5.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -6.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -6.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  2 25  2  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  5 20  1  0  0  0  0
  6 20  2  0  0  0  0
  6 23  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  7 58  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  8 34  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 19  1  0  0  0  0
  9 35  1  0  0  0  0
 10 17  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 18  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 14  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 15  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  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 52  1  0  0  0  0
 19 53  1  0  0  0  0
 19 54  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 55  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 23 56  1  0  0  0  0
 24 57  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 59  1  0  0  0  0
 28 30  2  0  0  0  0
 28 60  1  0  0  0  0
 29 31  2  0  0  0  0
 29 61  1  0  0  0  0
 30 31  1  0  0  0  0
 30 62  1  0  0  0  0
 32 33  1  0  0  0  0
 32 63  1  0  0  0  0
 32 64  1  0  0  0  0
 33 65  1  0  0  0  0
 33 66  1  0  0  0  0
 33 67  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
46360718

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
635

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8WLEAAAAAAAABwAAAHgAQAAAADQzhmgY/9pPIFACoAjd3dACCiCk1IiAJ2CE+bNiMJnLEvZuGOSjs1hPI6ae0QAAKAEAAAAAAAAAAgAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(4-ethoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)-1-piperidyl]pyridine-4-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(4-ethoxyphenyl)-2-[4-[(4-methyl-1-piperidinyl)-oxomethyl]-1-piperidinyl]-4-pyridinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(4-ethoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyridine-4-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-(4-ethoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyridine-4-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(4-ethoxyphenyl)-2-[4-(4-methylpiperidin-1-yl)carbonylpiperidin-1-yl]pyridine-4-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[4-(4-methylpiperidine-1-carbonyl)piperidino]-N-p-phenetyl-isonicotinamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H34N4O3/c1-3-33-23-6-4-22(5-7-23)28-25(31)21-8-13-27-24(18-21)29-16-11-20(12-17-29)26(32)30-14-9-19(2)10-15-30/h4-8,13,18-20H,3,9-12,14-17H2,1-2H3,(H,28,31)

> <PUBCHEM_IUPAC_INCHIKEY>
CGQQPTKHCYYXKX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
450.26309096

> <PUBCHEM_MOLECULAR_FORMULA>
C26H34N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
450.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC1=CC=C(C=C1)NC(=O)C2=CC(=NC=C2)N3CCC(CC3)C(=O)N4CCC(CC4)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC1=CC=C(C=C1)NC(=O)C2=CC(=NC=C2)N3CCC(CC3)C(=O)N4CCC(CC4)C

> <PUBCHEM_CACTVS_TPSA>
74.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
450.26309096

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
33

> <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>
20  21  8
21  22  8
22  24  8
23  24  8
26  27  8
26  28  8
27  29  8
28  30  8
29  31  8
30  31  8
6  20  8
6  23  8

$$$$