A1B3Z
Summary
| Name: | (3S)-1-[(2-carbamoylphenyl)acetyl]piperidine-3-carboxamide |
| Formula: | C15 H19 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 289.33 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-1-[(2-carbamoylphenyl)acetyl]piperidine-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-1-[2-(2-aminocarbonylphenyl)ethanoyl]piperidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Cc1ccccc1C(N)=O)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C15H19N3O3/c16-14(20)11-5-3-7-18(9-11)13(19)8-10-4-1-2-6-12(10)15(17)21/h1-2,4,6,11H,3,5,7-9H2,(H2,16,20)(H2,17,21)/t11-/m0/s1 |
| InChIKey | InChI | 1.06 | KSEBAGNDQOTDCD-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@H]1CCCN(C1)C(=O)Cc2ccccc2C(N)=O |
| SMILES | CACTVS | 3.385 | NC(=O)[CH]1CCCN(C1)C(=O)Cc2ccccc2C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(c(c1)CC(=O)N2CCC[C@@H](C2)C(=O)N)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(c(c1)CC(=O)N2CCCC(C2)C(=O)N)C(=O)N |
