A1B1E
Summary
| Name: | (3S)-1-[(2S)-2-methoxy-2-(pyridin-3-yl)acetyl]piperidine-3-carboxamide |
| Formula: | C14 H19 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 277.319 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-1-[(2S)-2-methoxy-2-(pyridin-3-yl)acetyl]piperidine-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-1-[(2~{R})-2-methoxy-2-pyridin-3-yl-ethanoyl]piperidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(C(OC)c1cccnc1)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C14H19N3O3/c1-20-12(10-4-2-6-16-8-10)14(19)17-7-3-5-11(9-17)13(15)18/h2,4,6,8,11-12H,3,5,7,9H2,1H3,(H2,15,18)/t11-,12-/m0/s1 |
| InChIKey | InChI | 1.06 | OGJQECZREBVMTE-RYUDHWBXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@@H](C(=O)N1CCC[C@@H](C1)C(N)=O)c2cccnc2 |
| SMILES | CACTVS | 3.385 | CO[CH](C(=O)N1CCC[CH](C1)C(N)=O)c2cccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CO[C@H](c1cccnc1)C(=O)N2CCC[C@@H](C2)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COC(c1cccnc1)C(=O)N2CCCC(C2)C(=O)N |
