A1BP4
Summary
| Name: | (3S)-1-[(3-methoxypyridin-2-yl)methyl]piperidine-3-carboxamide |
| Formula: | C13 H19 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 249.309 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-1-[(3-methoxypyridin-2-yl)methyl]piperidine-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-1-[(3-methoxypyridin-2-yl)methyl]piperidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | NC(=O)C1CCCN(Cc2ncccc2OC)C1 |
| InChI | InChI | 1.06 | InChI=1S/C13H19N3O2/c1-18-12-5-2-6-15-11(12)9-16-7-3-4-10(8-16)13(14)17/h2,5-6,10H,3-4,7-9H2,1H3,(H2,14,17)/t10-/m0/s1 |
| InChIKey | InChI | 1.06 | NASHQEPHZGSRGM-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccnc1CN2CCC[C@@H](C2)C(N)=O |
| SMILES | CACTVS | 3.385 | COc1cccnc1CN2CCC[CH](C2)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | COc1cccnc1CN2CCC[C@@H](C2)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COc1cccnc1CN2CCCC(C2)C(=O)N |
