A1BO4
Summary
| Name: | (3S)-1-[(2R)-2-methoxy-2-(2-methylphenyl)acetyl]piperidine-3-carboxamide |
| Formula: | C16 H22 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 290.357 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-1-[(2R)-2-methoxy-2-(2-methylphenyl)acetyl]piperidine-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-1-[(2~{R})-2-methoxy-2-(2-methylphenyl)ethanoyl]piperidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(C(OC)c1ccccc1C)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C16H22N2O3/c1-11-6-3-4-8-13(11)14(21-2)16(20)18-9-5-7-12(10-18)15(17)19/h3-4,6,8,12,14H,5,7,9-10H2,1-2H3,(H2,17,19)/t12-,14+/m0/s1 |
| InChIKey | InChI | 1.06 | CNYNLJPJLJQEQZ-GXTWGEPZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@@H](C(=O)N1CCC[C@@H](C1)C(N)=O)c2ccccc2C |
| SMILES | CACTVS | 3.385 | CO[CH](C(=O)N1CCC[CH](C1)C(N)=O)c2ccccc2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1ccccc1[C@H](C(=O)N2CCC[C@@H](C2)C(=O)N)OC |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1ccccc1C(C(=O)N2CCCC(C2)C(=O)N)OC |
