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Chemical ID: 4888723
Chemical ID:
4888723
Name [?]:
(4-chlorophenyl)-[3-(1-piperidylcarbonyl)-1-piperidyl]-methanone
SMILES [?]:
c1cc(ccc1C(=O)N2CCCC(C2)C(=O)N3CCCCC3)Cl
InChi [?]:
InChI=1/C18H23ClN2O2/c19-16-8-6-14(7-9-16)17(22)21-12-4-5-15(13-21)18(23)20-10-2-1-3-11-20/h6-9,15H,1-5,10-13H2
InChi Info:
AuxInfo=1/0/N:20,19,21,11,12,1,5,2,4,18,22,10,14,6,13,3,7,15,23,17,9,8,16/E:(2,3)(6,7)(8,9)(10,11)/rA:23cCCCCCCCONCCCCCCONCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s12;s9s13;s13;d15;s15;s17;s18;s19;s20;s17s21;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23ClN2O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.5677 |
Area: | 527.965 |
Solvation: | -2.63141 |
Coulombic: | -34.7021 |
Bond Count [?]
All: | 25 |
Single: | 20 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 334.84 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.9 |
LogP (Chemaxon): | 2.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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