A1BPD
Summary
| Name: | (3S)-1-[(2-acetamidophenyl)acetyl]piperidine-3-carboxamide |
| Formula: | C16 H21 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 303.356 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-1-[(2-acetamidophenyl)acetyl]piperidine-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-1-[2-(2-acetamidophenyl)ethanoyl]piperidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Cc1ccccc1NC(C)=O)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C16H21N3O3/c1-11(20)18-14-7-3-2-5-12(14)9-15(21)19-8-4-6-13(10-19)16(17)22/h2-3,5,7,13H,4,6,8-10H2,1H3,(H2,17,22)(H,18,20)/t13-/m0/s1 |
| InChIKey | InChI | 1.06 | CQOBSIHMSYPJCZ-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1ccccc1CC(=O)N2CCC[C@@H](C2)C(N)=O |
| SMILES | CACTVS | 3.385 | CC(=O)Nc1ccccc1CC(=O)N2CCC[CH](C2)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(=O)Nc1ccccc1CC(=O)N2CCC[C@@H](C2)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(=O)Nc1ccccc1CC(=O)N2CCCC(C2)C(=O)N |
