
 630116-49-3

 46 48  0  0  0  0  0  0  0  0999 V2000
    9.2782    7.7854   -7.7555 C   0  0  0  0  0
    8.8544    7.9853   -6.3299 C   0  0  0  0  0
    7.7284    7.3115   -5.8302 C   0  0  0  0  0
    7.3306    7.4599   -4.4983 C   0  0  0  0  0
    8.0869    8.2815   -3.6563 C   0  0  0  0  0
    9.2177    8.9448   -4.1394 C   0  0  0  0  0
    9.6030    8.7939   -5.4705 C   0  0  0  0  0
    6.1963    6.8350   -3.9471 N   0  0  0  0  0
    5.2436    6.0801   -4.6023 C   0  0  0  0  0
    5.2625    5.7412   -5.7850 O   0  0  0  0  0
    4.1082    5.6041   -3.6913 C   0  0  0  0  0
    3.8167    6.5379   -2.5735 N   0  0  0  0  0
    3.3117    7.8540   -3.0117 C   0  0  0  0  0
    1.9424    7.8200   -3.6910 C   0  0  0  0  0
    0.8756    7.0818   -2.8720 C   0  0  0  0  0
    1.4217    5.7914   -2.2401 C   0  0  0  0  0
    2.8311    5.9394   -1.6501 C   0  0  0  0  0
    0.2225    7.9904   -1.8436 C   0  0  0  0  0
   -1.1043    8.3881   -2.0102 C   0  0  0  0  0
   -1.6904    9.2127   -1.0537 C   0  0  0  0  0
   -0.9415    9.6236    0.0403 C   0  0  0  0  0
    0.3699    9.1927    0.1292 C   0  0  0  0  0
    0.9628    8.3920   -0.7839 N   0  0  0  0  0
    8.4107    7.6057   -8.3997 H   0  0  0  0  0
    9.9553    6.9287   -7.8278 H   0  0  0  0  0
    9.7883    8.6744   -8.1408 H   0  0  0  0  0
    7.1750    6.6714   -6.5104 H   0  0  0  0  0
    7.8051    8.4197   -2.6159 H   0  0  0  0  0
    9.7990    9.5802   -3.4765 H   0  0  0  0  0
   10.4882    9.3106   -5.8339 H   0  0  0  0  0
    5.9698    7.0272   -2.9740 H   0  0  0  0  0
    4.4378    4.6396   -3.2848 H   0  0  0  0  0
    3.2308    5.4225   -4.3200 H   0  0  0  0  0
    4.0274    8.3375   -3.6857 H   0  0  0  0  0
    3.2737    8.5149   -2.1365 H   0  0  0  0  0
    1.6226    8.8466   -3.9106 H   0  0  0  0  0
    2.0451    7.3240   -4.6643 H   0  0  0  0  0
    0.0862    6.7793   -3.5742 H   0  0  0  0  0
    0.7387    5.4214   -1.4651 H   0  0  0  0  0
    1.4438    5.0118   -3.0124 H   0  0  0  0  0
    2.7932    6.5428   -0.7358 H   0  0  0  0  0
    3.1860    4.9545   -1.3203 H   0  0  0  0  0
   -1.6828    8.0623   -2.8690 H   0  0  0  0  0
   -2.7236    9.5294   -1.1628 H   0  0  0  0  0
   -1.3680   10.2636    0.8039 H   0  0  0  0  0
    1.0000    9.4868    0.9635 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  6  7  2  0  0  0
  6 29  1  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 11 32  1  0  0  0
 11 33  1  0  0  0
 12 17  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 34  1  0  0  0
 13 35  1  0  0  0
 14 15  1  0  0  0
 14 36  1  0  0  0
 14 37  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 15 38  1  0  0  0
 16 17  1  0  0  0
 16 39  1  0  0  0
 16 40  1  0  0  0
 17 41  1  0  0  0
 17 42  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 43  1  0  0  0
 20 21  2  0  0  0
 20 44  1  0  0  0
 21 22  1  0  0  0
 21 45  1  0  0  0
 22 23  2  0  0  0
 22 46  1  0  0  0
M  END

>  <Chemical Name>
630116-49-3

>  <PubChem CID>
10425450

>  <Formula>
C19H23N3O

>  <Molecular Weight>
309.413000

>  <IUPAC Name>
N-(3-methylphenyl)-2-(4-pyridin-2-ylpiperidin-1-yl)acetamide

>  <XlogP>
3.300

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC(=CC=C1)NC(=O)CN2CCC(CC2)C3=CC=CC=N3

>  <Isomeric SMILES>
CC1=CC(=CC=C1)NC(=O)CN2CCC(CC2)C3=CC=CC=N3

>  <InChI Std. ID>
InChI=1S/C19H23N3O/c1-15-5-4-6-17(13-15)21-19(23)14-22-11-8-16(9-12-22)18-7-2-3-10-20-18/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,21,23)

>  <InChI Key>
JFCDMGGMCUKHST-UHFFFAOYSA-N

