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Chemical ID: 6667845
Chemical ID:
6667845
Name [?]:
N-(3-ethylphenyl)piperidine-1-carboxamide
SMILES [?]:
CCc1cccc(c1)NC(=O)N2CCCCC2
InChi [?]:
InChI=1/C14H20N2O/c1-2-12-7-6-8-13(11-12)15-14(17)16-9-4-3-5-10-16/h6-8,11H,2-5,9-10H2,1H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,2,15,14,16,5,4,6,13,17,8,3,7,10,9,12,11/E:(4,5)(9,10)/rA:17nCCCCCCCCNCONCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20N2O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.06551 |
Area: | 426.44 |
Solvation: | -1.59549 |
Coulombic: | -31.4291 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 232.321 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.82 |
LogP (Chemaxon): | 3.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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