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Chemical ID: 4447099
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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