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Chemical ID: 5889105
Chemical ID:
5889105
Name [?]:
N-[4-(4-benzyl-1-piperidyl)-3-(1-piperidylcarbonyl)phenyl]cyclohexanecarboxamide
SMILES [?]:
c1ccc(cc1)CC2CCN(CC2)c3ccc(cc3C(=O)N4CCCCC4)NC(=O)C5CCCCC5
InChi [?]:
InChI=1/C31H41N3O2/c35-30(26-12-6-2-7-13-26)32-27-14-15-29(28(23-27)31(36)34-18-8-3-9-19-34)33-20-16-25(17-21-33)22-24-10-4-1-5-11-24/h1,4-5,10-11,14-15,23,25-26H,2-3,6-9,12-13,16-22H2,(H,32,35)
InChi Info:
AuxInfo=1/1/N:1,34,25,2,6,33,35,24,26,3,5,32,36,16,15,9,13,23,27,10,12,7,18,4,8,31,17,19,14,29,20,28,11,22,30,21/E:(4,5)(6,7)(8,9)(10,11)(12,13)(16,17)(18,19)(20,21)/rA:36nCCCCCCCCCCNCCCCCCCCCONCCCCCNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;s11;s14;d15;s16;d17;d14s18;s19;d20;s20;s22;s23;s24;s25;s22s26;s17;s28;d29;s29;s31;s32;s33;s34;s31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H41N3O2 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.5832 |
Area: | 746.829 |
Solvation: | -4.08753 |
Coulombic: | -45.7553 |
Bond Count [?]
All: | 40 |
Single: | 32 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 487.676 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 6.63 |
LogP (Chemaxon): | 6.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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