A1BQN
Summary
| Name: | (3S)-N~1~-(3-cyanophenyl)piperidine-1,3-dicarboxamide |
| Formula: | C14 H16 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 272.302 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-N~1~-(3-cyanophenyl)piperidine-1,3-dicarboxamide |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-~{N}1-(3-cyanophenyl)piperidine-1,3-dicarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Nc1cc(C#N)ccc1)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C14H16N4O2/c15-8-10-3-1-5-12(7-10)17-14(20)18-6-2-4-11(9-18)13(16)19/h1,3,5,7,11H,2,4,6,9H2,(H2,16,19)(H,17,20)/t11-/m0/s1 |
| InChIKey | InChI | 1.06 | USAPPLNLVADEDO-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@H]1CCCN(C1)C(=O)Nc2cccc(c2)C#N |
| SMILES | CACTVS | 3.385 | NC(=O)[CH]1CCCN(C1)C(=O)Nc2cccc(c2)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(cc(c1)NC(=O)N2CCC[C@@H](C2)C(=O)N)C#N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(cc(c1)NC(=O)N2CCCC(C2)C(=O)N)C#N |
