Chemical ID: 5818982

Cc1ccc(c(c1)NC(=O)C2CCN(CC2)C(=O)c3ccc(cc3)Cl)C
Chemical ID:
5818982
Name [?]:
1-(4-chlorobenzoyl)-N-(2,5-dimethylphenyl)-piperidine-4-carboxamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)C2CCN(CC2)C(=O)c3ccc(cc3)Cl)C
InChi [?]:
InChI=1/C21H23ClN2O2/c1-14-3-4-15(2)19(13-14)23-20(25)16-9-11-24(12-10-16)21(26)17-5-7-18(22)8-6-17/h3-8,13,16H,9-12H2,1-2H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,26,3,4,20,24,21,23,12,16,13,15,7,2,5,11,19,22,6,9,17,25,8,14,10,18/E:(5,6)(7,8)(9,10)(11,12)/rA:26nCCCCCCCNCOCCCNCCCOCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;d17;s17;s19;d20;s21;d22;d19s23;s22;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23ClN2O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.6701
Area:591.511
Solvation:-3.11764
Coulombic:-38.9074
Bond Count [?]
All:28
Single:20
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:370.872
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.13
LogP (Chemaxon):3.58

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