
 MLS001100829

 58 61  0  0  0  0  0  0  0  0999 V2000
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    9.5803    4.9097    0.4886 C   0  0  0  0  0
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    5.3497    4.3900   -0.3441 C   0  0  0  0  0
    4.9606    4.4821   -1.7702 N   0  0  0  0  0
    5.3137    5.7957   -2.3354 C   0  0  0  0  0
    4.8377    5.9607   -3.7812 C   0  0  0  0  0
    3.3486    5.6632   -3.9633 C   0  0  0  0  0
    2.9999    4.3264   -3.3094 C   0  0  0  0  0
    3.5082    4.2479   -1.8679 C   0  0  0  0  0
    2.4664    6.7924   -3.4208 C   0  0  0  0  0
    2.8863    7.6171   -2.6182 O   0  0  0  0  0
    1.1775    6.7635   -3.9311 N   0  0  0  0  0
    0.1501    7.6890   -3.6388 C   0  0  0  0  0
    0.2162    8.6654   -2.6492 C   0  0  0  0  0
   -0.7584    9.5773   -2.4118 N   0  0  0  0  0
   -1.8433    9.5390   -3.2122 C   0  0  0  0  0
   -2.0318    8.5760   -4.1896 C   0  0  0  0  0
   -1.0189    7.6373   -4.4023 C   0  0  0  0  0
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    9.1027    7.2091    0.9350 F   0  0  0  0  0
   12.5663    6.0124    1.2837 H   0  0  0  0  0
   11.0689    6.5309    2.0603 H   0  0  0  0  0
   11.3935    6.9149    0.3205 H   0  0  0  0  0
    6.6756    6.6736    0.4057 H   0  0  0  0  0
    7.3579    2.5089   -0.4881 H   0  0  0  0  0
    9.7557    2.8141    0.0221 H   0  0  0  0  0
    4.7883    5.1167    0.2598 H   0  0  0  0  0
    5.0633    3.4017    0.0414 H   0  0  0  0  0
    6.4034    5.9113   -2.3563 H   0  0  0  0  0
    4.9206    6.6052   -1.7098 H   0  0  0  0  0
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    3.4511    3.5135   -3.8932 H   0  0  0  0  0
    2.9539    4.9629   -1.2457 H   0  0  0  0  0
    3.2759    3.2452   -1.4875 H   0  0  0  0  0
    0.9827    6.0891   -4.6603 H   0  0  0  0  0
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  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
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  4  5  1  0  0  0
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M  END

>  <Chemical Name>
MLS001100829

>  <PubChem CID>
24819426

>  <Formula>
C25H26FN3O3

>  <Molecular Weight>
435.499000

>  <IUPAC Name>
1-[(3-fluoro-4-methoxyphenyl)methyl]-N-(6-phenoxypyridin-3-yl)piperidine-4-carboxamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=C(C=C(C=C1)CN2CCC(CC2)C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4)F

>  <Isomeric SMILES>
COC1=C(C=C(C=C1)CN2CCC(CC2)C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4)F

>  <InChI Std. ID>
InChI=1S/C25H26FN3O3/c1-31-23-9-7-18(15-22(23)26)17-29-13-11-19(12-14-29)25(30)28-20-8-10-24(27-16-20)32-21-5-3-2-4-6-21/h2-10,15-16,19H,11-14,17H2,1H3,(H,28,30)

>  <InChI Key>
GMHPZRMQPJRBMJ-UHFFFAOYSA-N

