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Chemical ID: 4288742
Chemical ID:
4288742
Name [?]:
1-(3-methylcyclohexyl)piperidine-3-carboxamide
SMILES [?]:
CC1CCCC(C1)N2CCCC(C2)C(=O)N
InChi [?]:
InChI=1/C13H24N2O/c1-10-4-2-6-12(8-10)15-7-3-5-11(9-15)13(14)16/h10-12H,2-9H2,1H3,(H2,14,16)
InChi Info:
AuxInfo=1/1/N:1,4,10,3,11,5,9,7,13,2,12,6,14,16,8,15/rA:16cCCCCCCCNCCCCCCON/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;s10;s11;s8s12;s12;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H24N2O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 8.26497 |
Area: | 406.326 |
Solvation: | -1.89318 |
Coulombic: | -30.6143 |
Bond Count [?]
All: | 17 |
Single: | 16 |
Double: | 1 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 224.343 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.59 |
LogP (Chemaxon): | 1.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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