A1BS3
Summary
| Name: | (3S)-N~1~-(2-tert-butylphenyl)piperidine-1,3-dicarboxamide |
| Formula: | C17 H25 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 303.399 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-N~1~-(2-tert-butylphenyl)piperidine-1,3-dicarboxamide |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-~{N}1-(2-~{tert}-butylphenyl)piperidine-1,3-dicarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Nc1ccccc1C(C)(C)C)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C17H25N3O2/c1-17(2,3)13-8-4-5-9-14(13)19-16(22)20-10-6-7-12(11-20)15(18)21/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H2,18,21)(H,19,22)/t12-/m0/s1 |
| InChIKey | InChI | 1.06 | NNZDJLYJDJZVJG-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)c1ccccc1NC(=O)N2CCC[C@@H](C2)C(N)=O |
| SMILES | CACTVS | 3.385 | CC(C)(C)c1ccccc1NC(=O)N2CCC[CH](C2)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(C)(C)c1ccccc1NC(=O)N2CCC[C@@H](C2)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)(C)c1ccccc1NC(=O)N2CCCC(C2)C(=O)N |
