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Chemical ID: 4178382
Chemical ID:
4178382
Name [?]:
1-(1-cyclohex-3-enylmethyl)piperidine-3-carboxamide
SMILES [?]:
C1CC(CN(C1)CC2CCC=CC2)C(=O)N
InChi [?]:
InChI=1/C13H22N2O/c14-13(16)12-7-4-8-15(10-12)9-11-5-2-1-3-6-11/h1-2,11-12H,3-10H2,(H2,14,16)
InChi Info:
AuxInfo=1/1/N:11,12,10,1,13,9,2,6,7,4,8,3,14,16,5,15/rA:16cCCCCNCCCCCCCCCON/rB:s1;s2;s3;s4;s1s5;s5;s7;s8;s9;s10;d11;s8s12;s3;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H22N2O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 8.44671 |
Area: | 412.502 |
Solvation: | -1.86584 |
Coulombic: | -31.3529 |
Bond Count [?]
All: | 17 |
Single: | 15 |
Double: | 2 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 222.327 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.18 |
LogP (Chemaxon): | 1.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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