A1BRE
Summary
| Name: | (3S)-N~1~-(3-methylphenyl)piperidine-1,3-dicarboxamide |
| Formula: | C14 H19 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 261.32 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-N~1~-(3-methylphenyl)piperidine-1,3-dicarboxamide |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-~{N}1-(3-methylphenyl)piperidine-1,3-dicarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Nc1cc(C)ccc1)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C14H19N3O2/c1-10-4-2-6-12(8-10)16-14(19)17-7-3-5-11(9-17)13(15)18/h2,4,6,8,11H,3,5,7,9H2,1H3,(H2,15,18)(H,16,19)/t11-/m0/s1 |
| InChIKey | InChI | 1.06 | PUSSAGYROFRULS-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc(NC(=O)N2CCC[C@@H](C2)C(N)=O)c1 |
| SMILES | CACTVS | 3.385 | Cc1cccc(NC(=O)N2CCC[CH](C2)C(N)=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1cccc(c1)NC(=O)N2CCC[C@@H](C2)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1cccc(c1)NC(=O)N2CCCC(C2)C(=O)N |
