A1BSY
Summary
| Name: | (3S)-N~1~-(5-cyano-2-methoxyphenyl)piperidine-1,3-dicarboxamide |
| Formula: | C15 H18 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 302.328 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-N~1~-(5-cyano-2-methoxyphenyl)piperidine-1,3-dicarboxamide |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-~{N}1-(5-cyano-2-methoxy-phenyl)piperidine-1,3-dicarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Nc1cc(C#N)ccc1OC)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C15H18N4O3/c1-22-13-5-4-10(8-16)7-12(13)18-15(21)19-6-2-3-11(9-19)14(17)20/h4-5,7,11H,2-3,6,9H2,1H3,(H2,17,20)(H,18,21)/t11-/m0/s1 |
| InChIKey | InChI | 1.06 | TYTJRRUJUZJIIU-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1NC(=O)N2CCC[C@@H](C2)C(N)=O)C#N |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1NC(=O)N2CCC[CH](C2)C(N)=O)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | COc1ccc(cc1NC(=O)N2CCC[C@@H](C2)C(=O)N)C#N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COc1ccc(cc1NC(=O)N2CCCC(C2)C(=O)N)C#N |
