A1B08
Summary
| Name: | (3S)-N~1~-[3-(ethylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide |
| Formula: | C16 H22 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 318.371 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-N~1~-[3-(ethylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-~{N}1-[3-(ethylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Nc1cc(ccc1)C(=O)NCC)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C16H22N4O3/c1-2-18-15(22)11-5-3-7-13(9-11)19-16(23)20-8-4-6-12(10-20)14(17)21/h3,5,7,9,12H,2,4,6,8,10H2,1H3,(H2,17,21)(H,18,22)(H,19,23)/t12-/m0/s1 |
| InChIKey | InChI | 1.06 | AHABGCZYHXNKLQ-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNC(=O)c1cccc(NC(=O)N2CCC[C@@H](C2)C(N)=O)c1 |
| SMILES | CACTVS | 3.385 | CCNC(=O)c1cccc(NC(=O)N2CCC[CH](C2)C(N)=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCNC(=O)c1cccc(c1)NC(=O)N2CCC[C@@H](C2)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCNC(=O)c1cccc(c1)NC(=O)N2CCCC(C2)C(=O)N |
