A1BP3
Summary
| Name: | (3S)-1-[(2S)-2-acetamido-2-(2-methoxyphenyl)acetyl]piperidine-3-carboxamide |
| Formula: | C17 H23 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 333.382 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-1-[(2S)-2-acetamido-2-(2-methoxyphenyl)acetyl]piperidine-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-1-[(2~{S})-2-acetamido-2-(2-methoxyphenyl)ethanoyl]piperidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(C(NC(C)=O)c1ccccc1OC)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C17H23N3O4/c1-11(21)19-15(13-7-3-4-8-14(13)24-2)17(23)20-9-5-6-12(10-20)16(18)22/h3-4,7-8,12,15H,5-6,9-10H2,1-2H3,(H2,18,22)(H,19,21)/t12-,15-/m0/s1 |
| InChIKey | InChI | 1.06 | KEZJHWCQWSCOQQ-WFASDCNBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1[C@H](NC(C)=O)C(=O)N2CCC[C@@H](C2)C(N)=O |
| SMILES | CACTVS | 3.385 | COc1ccccc1[CH](NC(C)=O)C(=O)N2CCC[CH](C2)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(=O)N[C@@H](c1ccccc1OC)C(=O)N2CCC[C@@H](C2)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(=O)NC(c1ccccc1OC)C(=O)N2CCCC(C2)C(=O)N |
