Chemical ID: 4322695

c1cc(ccc1C(=O)N2CCN(CC2)C(=O)CCC3CCCC3)F
Chemical ID:
4322695
Name [?]:
3-cyclopentyl-1-[4-(4-fluorobenzoyl)piperazin-1-yl]-propan-1-one
SMILES [?]:
c1cc(ccc1C(=O)N2CCN(CC2)C(=O)CCC3CCCC3)F
InChi [?]:
InChI=1/C19H25FN2O2/c20-17-8-6-16(7-9-17)19(24)22-13-11-21(12-14-22)18(23)10-5-15-3-1-2-4-15/h6-9,15H,1-5,10-14H2
InChi Info:
AuxInfo=1/0/N:21,22,20,23,18,1,5,2,4,17,11,13,10,14,19,6,3,15,7,24,12,9,16,8/E:(1,2)(3,4)(6,7)(8,9)(11,12)(13,14)/rA:24nCCCCCCCONCCNCCCOCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s12;s9s13;s12;d15;s15;s17;s18;s19;s20;s21;s19s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H25FN2O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.63415
Area:544.018
Solvation:-3.9663
Coulombic:-37.1546
Bond Count [?]
All:26
Single:21
Double:5
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:332.412
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.86
LogP (Chemaxon):2.47

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Descriptor Annotations

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