UPD
Summary
Name: | 1-acetyl-N-(6-methoxypyridin-3-yl)piperidine-4-carboxamide |
Formula: | C14 H19 N3 O3 |
Formal charge: | 0 |
Formula weight: | 277.319 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 1-acetyl-N-(6-methoxypyridin-3-yl)piperidine-4-carboxamide |
OpenEye OEToolkits | 2.0.7 | 1-ethanoyl-~{N}-(6-methoxypyridin-3-yl)piperidine-4-carboxamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N(c1cnc(cc1)OC)C(C2CCN(C(C)=O)CC2)=O |
InChI | InChI | 1.03 | InChI=1S/C14H19N3O3/c1-10(18)17-7-5-11(6-8-17)14(19)16-12-3-4-13(20-2)15-9-12/h3-4,9,11H,5-8H2,1-2H3,(H,16,19) |
InChIKey | InChI | 1.03 | ZIGOYOFMTWMITB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(NC(=O)C2CCN(CC2)C(C)=O)cn1 |
SMILES | CACTVS | 3.385 | COc1ccc(NC(=O)C2CCN(CC2)C(C)=O)cn1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCC(CC1)C(=O)Nc2ccc(nc2)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCC(CC1)C(=O)Nc2ccc(nc2)OC |