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Chemical ID: 6166394
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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