46359012
  -OEChem-04242423452D

 47 50  0     0  0  0  0  0  0999 V2000
    9.7619    1.4395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8497   -1.9676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    0.5735    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -0.2925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.3782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.2312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    0.5735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    1.4395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -0.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    1.4395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -0.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619    0.5735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.5735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619   -0.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619   -1.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2619   -1.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8497   -0.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8007   -0.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8007   -1.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5719    0.0366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3445    1.6516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542    2.0501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542   -0.9031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3445   -0.5046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8695    2.0501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1793    1.6516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1793   -0.5046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8695   -0.9031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4519   -0.8295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    1.9676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3445   -0.0805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6542    0.3181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6793   -1.3706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3695   -1.7691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.1935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.3835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.2365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6581    0.2401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3023   -0.2941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3023   -2.0230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 20  1  0  0  0  0
  2 25  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  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 35  1  0  0  0  0
  5 13  1  0  0  0  0
  5 15  1  0  0  0  0
  5 36  1  0  0  0  0
  6 13  2  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 26  1  0  0  0  0
  8 10  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 11  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 14 17  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 21  1  0  0  0  0
 18 41  1  0  0  0  0
 19 22  1  0  0  0  0
 19 42  1  0  0  0  0
 20 23  2  0  0  0  0
 21 22  2  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 24  1  0  0  0  0
 23 45  1  0  0  0  0
 24 25  2  0  0  0  0
 24 46  1  0  0  0  0
 25 47  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
46359012

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
453

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAWJAAAA8QAAAAAAAAFgB/AAAHgAQAAAADQzhlgYx1LfJlECoAa1y9ACCiC2lMqAJmaE+fNiMbrrEvZuWOSju1hPI6aecSAAKAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(1H-benzimidazol-2-yl)-N-[2-(2-furyl)ethyl]piperidine-4-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
1-(1H-benzimidazol-2-yl)-N-[2-(2-furanyl)ethyl]-4-piperidinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(1<I>H</I>-benzimidazol-2-yl)-<I>N</I>-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide

> <PUBCHEM_IUPAC_NAME>
1-(1H-benzimidazol-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(1H-benzimidazol-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(1H-benzimidazol-2-yl)-N-[2-(2-furyl)ethyl]isonipecotamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H22N4O2/c24-18(20-10-7-15-4-3-13-25-15)14-8-11-23(12-9-14)19-21-16-5-1-2-6-17(16)22-19/h1-6,13-14H,7-12H2,(H,20,24)(H,21,22)

> <PUBCHEM_IUPAC_INCHIKEY>
BTTJUIABVKVRFL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.8

> <PUBCHEM_EXACT_MASS>
338.17427596

> <PUBCHEM_MOLECULAR_FORMULA>
C19H22N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
338.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CN(CCC1C(=O)NCCC2=CC=CO2)C3=NC4=CC=CC=C4N3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CN(CCC1C(=O)NCCC2=CC=CO2)C3=NC4=CC=CC=C4N3

> <PUBCHEM_CACTVS_TPSA>
74.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
338.17427596

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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>
15  16  8
15  18  8
16  19  8
18  21  8
19  22  8
2  20  8
2  25  8
20  23  8
21  22  8
23  24  8
24  25  8
5  13  8
5  15  8
6  13  8
6  16  8

$$$$