24817156
  -OEChem-04252409522D

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    4.4487    2.3512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1808    3.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    3.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    3.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    4.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    4.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    5.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9118   -0.3388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3706   -0.5662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9721   -1.2564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9721   -2.0411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3706   -2.7314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5268   -2.7314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9253   -2.0411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2366    0.9338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8381    0.2436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5268    0.2686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9253    0.9589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7177    2.0412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9389   -5.5582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -4.4204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5837    3.5412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7778    3.5412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5837    5.1612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7778    5.1612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    5.9712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 19  1  0  0  0  0
  2 14  2  0  0  0  0
  3 15  2  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 18  1  0  0  0  0
  5 38  1  0  0  0  0
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  7  9  1  0  0  0  0
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 18 21  1  0  0  0  0
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 21 23  2  0  0  0  0
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 22 24  2  0  0  0  0
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 23 24  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
24817156

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
432

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MABAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAAABwAAAHgQQAAAADQjB0gS8wZPIEAisADV3VACC8KB1CjhI2A0oZMgIIDrA0ZGEIIhglgDIyMcYCAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-phenyl-3-[1-(thiazole-5-carbonyl)-4-piperidyl]propanamide

> <PUBCHEM_IUPAC_CAS_NAME>
3-[1-[oxo(5-thiazolyl)methyl]-4-piperidinyl]-N-phenylpropanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-phenyl-3-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide

> <PUBCHEM_IUPAC_NAME>
N-phenyl-3-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-phenyl-3-[1-(1,3-thiazol-5-ylcarbonyl)piperidin-4-yl]propanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-phenyl-3-[1-(thiazole-5-carbonyl)-4-piperidyl]propionamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H21N3O2S/c22-17(20-15-4-2-1-3-5-15)7-6-14-8-10-21(11-9-14)18(23)16-12-19-13-24-16/h1-5,12-14H,6-11H2,(H,20,22)

> <PUBCHEM_IUPAC_INCHIKEY>
HQTWMDVGWNEUJT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.7

> <PUBCHEM_EXACT_MASS>
343.13544809

> <PUBCHEM_MOLECULAR_FORMULA>
C18H21N3O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
343.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CN(CCC1CCC(=O)NC2=CC=CC=C2)C(=O)C3=CN=CS3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CN(CCC1CCC(=O)NC2=CC=CC=C2)C(=O)C3=CN=CS3

> <PUBCHEM_CACTVS_TPSA>
90.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
343.13544809

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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>
1  16  8
1  19  8
16  17  8
18  20  8
18  21  8
20  22  8
21  23  8
22  24  8
23  24  8
6  17  8
6  19  8

$$$$