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Chemical ID: 5889128
Chemical ID:
5889128
Name [?]:
N-[4-(4-methyl-1-piperidyl)-3-(1-piperidylcarbonyl)phenyl]cyclohexanecarboxamide
SMILES [?]:
CC1CCN(CC1)c2ccc(cc2C(=O)N3CCCCC3)NC(=O)C4CCCCC4
InChi [?]:
InChI=1/C25H37N3O2/c1-19-12-16-27(17-13-19)23-11-10-21(26-24(29)20-8-4-2-5-9-20)18-22(23)25(30)28-14-6-3-7-15-28/h10-11,18-20H,2-9,12-17H2,1H3,(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,28,19,27,29,18,20,26,30,10,9,3,7,17,21,4,6,12,2,25,11,13,8,23,14,22,5,16,24,15/E:(4,5)(6,7)(8,9)(12,13)(14,15)(16,17)/rA:30nCCCCNCCCCCCCCCONCCCCCNCOCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;d11;d8s12;s13;d14;s14;s16;s17;s18;s19;s16s20;s11;s22;d23;s23;s25;s26;s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H37N3O2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.25 |
Area: | 638.489 |
Solvation: | -3.71219 |
Coulombic: | -44.0637 |
Bond Count [?]
All: | 33 |
Single: | 28 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 411.58 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.18 |
LogP (Chemaxon): | 4.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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