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Chemical ID: 4322695
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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