A1BRO
Summary
| Name: | (3S)-1-[(2R)-2-amino-2-(2-methoxyphenyl)acetyl]piperidine-3-carboxamide |
| Formula: | C15 H21 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 291.346 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-1-[(2R)-2-amino-2-(2-methoxyphenyl)acetyl]piperidine-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-1-[(2~{S})-2-azanyl-2-(2-methoxyphenyl)ethanoyl]piperidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(C(N)c1ccccc1OC)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C15H21N3O3/c1-21-12-7-3-2-6-11(12)13(16)15(20)18-8-4-5-10(9-18)14(17)19/h2-3,6-7,10,13H,4-5,8-9,16H2,1H3,(H2,17,19)/t10-,13?/m0/s1 |
| InChIKey | InChI | 1.06 | CCGPYMIAYPDEFF-NKUHCKNESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1[C@H](N)C(=O)N2CCC[C@@H](C2)C(N)=O |
| SMILES | CACTVS | 3.385 | COc1ccccc1[CH](N)C(=O)N2CCC[CH](C2)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | COc1ccccc1[C@@H](C(=O)N2CCC[C@@H](C2)C(=O)N)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COc1ccccc1C(C(=O)N2CCCC(C2)C(=O)N)N |
