Chemical ID: 4447099

CC(C)(C)c1ccc(cc1)C(=O)N2CCC(CC2)C(=O)Nc3ccc(c(c3)Cl)OC
Chemical ID:
4447099
Name [?]:
N-(3-chloro-4-methoxy-phenyl)-1-(4-tert-butylbenzoyl)-piperidine-4-carboxamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)C(=O)N2CCC(CC2)C(=O)Nc3ccc(c(c3)Cl)OC
InChi [?]:
InChI=1/C24H29ClN2O3/c1-24(2,3)18-7-5-17(6-8-18)23(29)27-13-11-16(12-14-27)22(28)26-19-9-10-21(30-4)20(25)15-19/h5-10,15-16H,11-14H2,1-4H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,3,4,30,7,9,6,10,23,24,15,17,14,18,27,16,8,5,22,26,25,19,11,2,28,21,13,20,12,29/E:(1,2,3)(5,6)(7,8)(11,12)(13,14)/rA:30nCCCCCCCCCCCONCCCCCCONCCCCCCClOC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;s15;s16;s13s17;s16;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;s25;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H29ClN2O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.957
Area:664.988
Solvation:-4.66773
Coulombic:-46.1869
Bond Count [?]
All:32
Single:24
Double:8
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:428.951
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.19
LogP (Chemaxon):4.67

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Descriptor Annotations

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