A1B5G
Summary
| Name: | (3S)-6-oxo-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide |
| Formula: | C16 H20 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 272.342 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-6-oxo-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | (3~{R})-6-oxidanylidene-1-[(1~{R})-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | NC(=O)C1CCC(=O)N(C1)C1CCCc2ccccc12 |
| InChI | InChI | 1.06 | InChI=1S/C16H20N2O2/c17-16(20)12-8-9-15(19)18(10-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,12,14H,3,5,7-10H2,(H2,17,20)/t12-,14+/m0/s1 |
| InChIKey | InChI | 1.06 | OUROYAJWZKVYSV-GXTWGEPZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@@H]1CCC(=O)N(C1)[C@@H]2CCCc3ccccc23 |
| SMILES | CACTVS | 3.385 | NC(=O)[CH]1CCC(=O)N(C1)[CH]2CCCc3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)CCC[C@H]2N3C[C@@H](CCC3=O)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)CCCC2N3CC(CCC3=O)C(=O)N |
