A1B1A
Summary
| Name: | (3S)-N~1~-[(3-methylphenyl)methyl]piperidine-1,3-dicarboxamide |
| Formula: | C15 H21 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 275.346 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-N~1~-[(3-methylphenyl)methyl]piperidine-1,3-dicarboxamide |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-~{N}1-[(3-methylphenyl)methyl]piperidine-1,3-dicarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(NCc1cccc(C)c1)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C15H21N3O2/c1-11-4-2-5-12(8-11)9-17-15(20)18-7-3-6-13(10-18)14(16)19/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H2,16,19)(H,17,20)/t13-/m0/s1 |
| InChIKey | InChI | 1.06 | DVNZCRUHPFYGIQ-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc(CNC(=O)N2CCC[C@@H](C2)C(N)=O)c1 |
| SMILES | CACTVS | 3.385 | Cc1cccc(CNC(=O)N2CCC[CH](C2)C(N)=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1cccc(c1)CNC(=O)N2CCC[C@@H](C2)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1cccc(c1)CNC(=O)N2CCCC(C2)C(=O)N |
