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Chemical ID: 5016797
Chemical ID:
5016797
Name [?]:
N-(3,4-dimethoxyphenyl)-1-methyl-piperidine-2-carboxamide
SMILES [?]:
CN1CCCCC1C(=O)Nc2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C15H22N2O3/c1-17-9-5-4-6-12(17)15(18)16-11-7-8-13(19-2)14(10-11)20-3/h7-8,10,12H,4-6,9H2,1-3H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,20,18,5,4,6,12,13,3,16,11,7,14,15,8,10,2,9,19,17/rA:20cCNCCCCCCONCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s2s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;s17;s14;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22N2O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.48869 |
Area: | 465.095 |
Solvation: | -5.1387 |
Coulombic: | -39.865 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 278.347 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.33 |
LogP (Chemaxon): | 1.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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