A1BF7
Summary
| Name: | (3S)-1-(methoxyacetyl)piperidine-3-carboxamide |
| Formula: | C9 H16 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 200.235 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-1-(methoxyacetyl)piperidine-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-1-(2-methoxyethanoyl)piperidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(COC)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C9H16N2O3/c1-14-6-8(12)11-4-2-3-7(5-11)9(10)13/h7H,2-6H2,1H3,(H2,10,13)/t7-/m0/s1 |
| InChIKey | InChI | 1.06 | VINVRWFILPAKSR-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCC(=O)N1CCC[C@@H](C1)C(N)=O |
| SMILES | CACTVS | 3.385 | COCC(=O)N1CCC[CH](C1)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | COCC(=O)N1CCC[C@@H](C1)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COCC(=O)N1CCCC(C1)C(=O)N |
