A1B16
Summary
| Name: | (3S)-6-oxo-1-phenylpiperidine-3-carboxamide |
| Formula: | C12 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 218.252 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-6-oxo-1-phenylpiperidine-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-6-oxidanylidene-1-phenyl-piperidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | NC(=O)C1CCC(=O)N(C1)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C12H14N2O2/c13-12(16)9-6-7-11(15)14(8-9)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H2,13,16)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | QUDHARAVDXCJDA-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@H]1CCC(=O)N(C1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | NC(=O)[CH]1CCC(=O)N(C1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)N2C[C@H](CCC2=O)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)N2CC(CCC2=O)C(=O)N |
