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Chemical ID: 4889493
Chemical ID:
4889493
Name [?]:
(3-fluorophenyl)-[3-(1-piperidylcarbonyl)-1-piperidyl]-methanone
SMILES [?]:
c1cc(cc(c1)F)C(=O)N2CCCC(C2)C(=O)N3CCCCC3
InChi [?]:
InChI=1/C18H23FN2O2/c19-16-8-4-6-14(12-16)17(22)21-11-5-7-15(13-21)18(23)20-9-2-1-3-10-20/h4,6,8,12,15H,1-3,5,7,9-11,13H2
InChi Info:
AuxInfo=1/0/N:21,20,22,1,12,2,13,6,19,23,11,4,15,3,14,5,8,16,7,18,10,9,17/E:(2,3)(9,10)/rA:23cCCCCCCFCONCCCCCCONCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;s12;s13;s10s14;s14;d16;s16;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23FN2O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.02612 |
Area: | 500.108 |
Solvation: | -3.47657 |
Coulombic: | -37.3306 |
Bond Count [?]
All: | 25 |
Single: | 20 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 318.386 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.44 |
LogP (Chemaxon): | 1.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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