Chemical ID: 6166394

CC(C)(C)c1ccc(cc1)C(=O)N2CCC(CC2)C(=O)Nc3ccccc3OC
Chemical ID:
6166394
Name [?]:
N-(2-methoxyphenyl)-1-(4-tert-butylbenzoyl)-piperidine-4-carboxamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)C(=O)N2CCC(CC2)C(=O)Nc3ccccc3OC
InChi [?]:
InChI=1/C24H30N2O3/c1-24(2,3)19-11-9-18(10-12-19)23(28)26-15-13-17(14-16-26)22(27)25-20-7-5-6-8-21(20)29-4/h5-12,17H,13-16H2,1-4H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,3,4,29,24,25,23,26,7,9,6,10,15,17,14,18,16,8,5,22,27,19,11,2,21,13,20,12,28/E:(1,2,3)(9,10)(11,12)(13,14)(15,16)/rA:29nCCCCCCCCCCCONCCCCCCONCCCCCCOC/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;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H30N2O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.7289
Area:631.263
Solvation:-4.0527
Coulombic:-47.3174
Bond Count [?]
All:31
Single:23
Double:8
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:394.507
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.57
LogP (Chemaxon):4.16

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Descriptor Annotations

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