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Chemical ID: 6677496
Chemical ID:
6677496
Name [?]:
2-methyl-N-(m-tolyl)piperidine-1-carboxamide
SMILES [?]:
Cc1cccc(c1)NC(=O)N2CCCCC2C
InChi [?]:
InChI=1/C14H20N2O/c1-11-6-5-8-13(10-11)15-14(17)16-9-4-3-7-12(16)2/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,17,14,13,4,3,15,5,12,7,2,16,6,9,8,11,10/rA:17cCCCCCCCNCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s14;s11s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20N2O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.81247 |
Area: | 413.177 |
Solvation: | -1.51696 |
Coulombic: | -31.2162 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 232.321 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.82 |
LogP (Chemaxon): | 3.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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