
 Pirenperone

 53 56  0  0  0  0  0  0  0  0999 V2000
   -0.7859    0.5082   -1.9881 C   0  0  0  0  0
   -0.5508    0.6990   -0.5101 C   0  0  0  0  0
   -0.3904   -0.3152    0.3595 C   0  0  0  0  0
   -0.1501    0.0310    1.7907 C   0  0  0  0  0
    0.0921   -0.8636    2.6028 O   0  0  0  0  0
   -0.2211    1.3763    2.1135 N   0  0  0  0  0
   -0.0889    1.7672    3.4421 C   0  0  0  0  0
   -0.1343    3.0546    3.8071 C   0  0  0  0  0
   -0.3109    4.0753    2.8087 C   0  0  0  0  0
   -0.4307    3.7458    1.5172 C   0  0  0  0  0
   -0.3958    2.3130    1.1089 C   0  0  0  0  0
   -0.5313    2.0216   -0.1463 N   0  0  0  0  0
   -0.4934   -1.7875    0.0501 C   0  0  0  0  0
    0.8770   -2.4283   -0.2510 C   0  0  0  0  0
    0.8796   -3.8776   -0.5475 N   0  0  0  0  0
    0.1136   -4.1996   -1.7548 C   0  0  0  0  0
    0.2136   -5.6870   -2.1016 C   0  0  0  0  0
   -0.2288   -6.5788   -0.9396 C   0  0  0  0  0
    0.4904   -6.1674    0.3497 C   0  0  0  0  0
    0.4425   -4.6613    0.6156 C   0  0  0  0  0
   -1.7536   -6.5365   -0.7869 C   0  0  0  0  0
   -2.3232   -5.7138   -0.0712 O   0  0  0  0  0
   -2.6078   -7.4580   -1.5927 C   0  0  0  0  0
   -3.8987   -7.0215   -1.9368 C   0  0  0  0  0
   -4.7512   -7.8457   -2.6738 C   0  0  0  0  0
   -4.3159   -9.1074   -3.0565 C   0  0  0  0  0
   -3.0462   -9.5599   -2.7144 C   0  0  0  0  0
   -2.1875   -8.7362   -1.9795 C   0  0  0  0  0
   -5.1328   -9.9038   -3.7575 F   0  0  0  0  0
   -0.8356   -0.5368   -2.3007 H   0  0  0  0  0
    0.0265    0.9749   -2.5560 H   0  0  0  0  0
   -1.7271    0.9851   -2.2829 H   0  0  0  0  0
    0.0480    0.9781    4.1774 H   0  0  0  0  0
   -0.0364    3.3480    4.8471 H   0  0  0  0  0
   -0.3420    5.1123    3.1266 H   0  0  0  0  0
   -0.5650    4.4812    0.7342 H   0  0  0  0  0
   -1.1821   -1.9430   -0.7855 H   0  0  0  0  0
   -0.9777   -2.2901    0.8949 H   0  0  0  0  0
    1.5591   -2.2496    0.5909 H   0  0  0  0  0
    1.3369   -1.9072   -1.1016 H   0  0  0  0  0
    0.5120   -3.6289   -2.6028 H   0  0  0  0  0
   -0.9422   -3.9270   -1.6518 H   0  0  0  0  0
   -0.3865   -5.8904   -2.9965 H   0  0  0  0  0
    1.2540   -5.9256   -2.3594 H   0  0  0  0  0
    0.0774   -7.6064   -1.1501 H   0  0  0  0  0
    0.0646   -6.7001    1.2087 H   0  0  0  0  0
    1.5418   -6.4763    0.2773 H   0  0  0  0  0
   -0.5662   -4.3837    0.9330 H   0  0  0  0  0
    1.1050   -4.4505    1.4644 H   0  0  0  0  0
   -4.2459   -6.0365   -1.6278 H   0  0  0  0  0
   -5.7491   -7.5138   -2.9425 H   0  0  0  0  0
   -2.7365  -10.5570   -3.0126 H   0  0  0  0  0
   -1.2161   -9.1308   -1.7006 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  2  0  0  0
  2 12  1  0  0  0
  3  4  1  0  0  0
  3 13  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 11  1  0  0  0
  7  8  2  0  0  0
  7 33  1  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  9 10  2  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 11 12  2  0  0  0
 13 14  1  0  0  0
 13 37  1  0  0  0
 13 38  1  0  0  0
 14 15  1  0  0  0
 14 39  1  0  0  0
 14 40  1  0  0  0
 15 20  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 41  1  0  0  0
 16 42  1  0  0  0
 17 18  1  0  0  0
 17 43  1  0  0  0
 17 44  1  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 18 45  1  0  0  0
 19 20  1  0  0  0
 19 46  1  0  0  0
 19 47  1  0  0  0
 20 48  1  0  0  0
 20 49  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 50  1  0  0  0
 25 26  2  0  0  0
 25 51  1  0  0  0
 26 27  1  0  0  0
 26 29  1  0  0  0
 27 28  2  0  0  0
 27 52  1  0  0  0
 28 53  1  0  0  0
M  END

>  <Chemical Name>
Pirenperone

>  <PubChem CID>
4847

>  <Formula>
C23H24FN3O2

>  <Molecular Weight>
393.462000

>  <IUPAC Name>
3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one

>  <XlogP>
2.600

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C(=O)N2C=CC=CC2=N1)CCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F

>  <Isomeric SMILES>
CC1=C(C(=O)N2C=CC=CC2=N1)CCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C23H24FN3O2/c1-16-20(23(29)27-12-3-2-4-21(27)25-16)11-15-26-13-9-18(10-14-26)22(28)17-5-7-19(24)8-6-17/h2-8,12,18H,9-11,13-15H2,1H3

>  <InChI Key>
HXCNRYXBZNHDNE-UHFFFAOYSA-N

