
 Pipamperone

 57 59  0  0  0  0  0  0  0  0999 V2000
    2.2526    0.0999   -3.0695 C   0  0  0  0  0
    2.6148    0.6661   -1.7065 C   0  0  0  0  0
    1.6172    0.2050   -0.6410 C   0  0  0  0  0
    1.5323   -1.2725   -0.5501 N   0  0  0  0  0
    1.2067   -1.8561   -1.8694 C   0  0  0  0  0
    2.1656   -1.4143   -2.9792 C   0  0  0  0  0
    0.5756   -1.7196    0.5487 C   0  0  0  0  0
   -0.8984   -1.2730    0.3161 C   0  0  0  0  0
   -1.8717   -2.4506    0.3226 C   0  0  0  0  0
   -1.7773   -3.2962    1.5144 N   0  0  0  0  0
   -0.3939   -3.7305    1.7883 C   0  0  0  0  0
    0.6338   -3.2655    0.7464 C   0  0  0  0  0
   -2.3766   -2.7061    2.7254 C   0  0  0  0  0
   -3.8440   -2.2729    2.6084 C   0  0  0  0  0
   -4.7837   -3.4031    2.1815 C   0  0  0  0  0
   -6.2145   -2.9075    2.0492 C   0  0  0  0  0
   -6.5225   -1.7312    2.2312 O   0  0  0  0  0
   -7.2862   -3.8813    1.6769 C   0  0  0  0  0
   -7.0265   -5.2416    1.4605 C   0  0  0  0  0
   -8.0709   -6.1073    1.1198 C   0  0  0  0  0
   -9.3656   -5.6145    0.9943 C   0  0  0  0  0
   -9.6401   -4.2693    1.2018 C   0  0  0  0  0
   -8.6005   -3.4022    1.5437 C   0  0  0  0  0
  -10.3602   -6.4485    0.6690 F   0  0  0  0  0
    1.1106   -1.1129    1.9025 C   0  0  0  0  0
    0.4573   -0.4539    2.7042 O   0  0  0  0  0
    2.4275   -1.3863    2.1756 N   0  0  0  0  0
    1.2897    0.5097   -3.3974 H   0  0  0  0  0
    3.0006    0.3930   -3.8145 H   0  0  0  0  0
    2.6250    1.7612   -1.7525 H   0  0  0  0  0
    3.6273    0.3476   -1.4299 H   0  0  0  0  0
    1.9571    0.6321    0.3077 H   0  0  0  0  0
    0.6394    0.6491   -0.8599 H   0  0  0  0  0
    1.2711   -2.9466   -1.8327 H   0  0  0  0  0
    0.1864   -1.6024   -2.1790 H   0  0  0  0  0
    3.1627   -1.8311   -2.7904 H   0  0  0  0  0
    1.8258   -1.8201   -3.9386 H   0  0  0  0  0
   -1.0246   -0.7677   -0.6478 H   0  0  0  0  0
   -1.2229   -0.5289    1.0514 H   0  0  0  0  0
   -2.8915   -2.0875    0.1612 H   0  0  0  0  0
   -1.6832   -3.0769   -0.5599 H   0  0  0  0  0
   -0.0561   -3.4082    2.7824 H   0  0  0  0  0
   -0.3879   -4.8266    1.8183 H   0  0  0  0  0
    1.6334   -3.5936    1.0602 H   0  0  0  0  0
    0.4258   -3.8035   -0.1838 H   0  0  0  0  0
   -1.7955   -1.8379    3.0582 H   0  0  0  0  0
   -2.3195   -3.4481    3.5333 H   0  0  0  0  0
   -3.9345   -1.4219    1.9250 H   0  0  0  0  0
   -4.1654   -1.8958    3.5879 H   0  0  0  0  0
   -4.7519   -4.1990    2.9337 H   0  0  0  0  0
   -4.4739   -3.8064    1.2114 H   0  0  0  0  0
   -6.0254   -5.6531    1.5502 H   0  0  0  0  0
   -7.8837   -7.1638    0.9518 H   0  0  0  0  0
  -10.6558   -3.9018    1.0988 H   0  0  0  0  0
   -8.8201   -2.3471    1.7067 H   0  0  0  0  0
    3.0261   -1.5969    1.3852 H   0  0  0  0  0
    2.8289   -0.8993    2.9643 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  6 36  1  0  0  0
  6 37  1  0  0  0
  7 12  1  0  0  0
  7  8  1  0  0  0
  7 25  1  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
  8 39  1  0  0  0
  9 10  1  0  0  0
  9 40  1  0  0  0
  9 41  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  1  0  0  0
 11 42  1  0  0  0
 11 43  1  0  0  0
 12 44  1  0  0  0
 12 45  1  0  0  0
 13 14  1  0  0  0
 13 46  1  0  0  0
 13 47  1  0  0  0
 14 15  1  0  0  0
 14 48  1  0  0  0
 14 49  1  0  0  0
 15 16  1  0  0  0
 15 50  1  0  0  0
 15 51  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 52  1  0  0  0
 20 21  2  0  0  0
 20 53  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  2  0  0  0
 22 54  1  0  0  0
 23 55  1  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
 27 56  1  0  0  0
 27 57  1  0  0  0
M  END

>  <Chemical Name>
Pipamperone

>  <PubChem CID>
4830

>  <Formula>
C21H30FN3O2

>  <Molecular Weight>
375.488000

>  <IUPAC Name>
1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidin-1-ylpiperidine-4-carboxamide

>  <XlogP>
2.000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N

>  <Isomeric SMILES>
C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N

>  <InChI Std. ID>
InChI=1S/C21H30FN3O2/c22-18-8-6-17(7-9-18)19(26)5-4-12-24-15-10-21(11-16-24,20(23)27)25-13-2-1-3-14-25/h6-9H,1-5,10-16H2,(H2,23,27)

>  <InChI Key>
AXKPFOAXAHJUAG-UHFFFAOYSA-N

