N5U
Summary
| Name: | 1-[(2~{R})-2-(3-methylimidazol-4-yl)piperidin-1-yl]propan-1-one |
| Formula: | C12 H19 N3 O |
| Formal charge: | 0 |
| Formula weight: | 221.299 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[(2~{R})-2-(3-methylimidazol-4-yl)piperidin-1-yl]propan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H19N3O/c1-3-12(16)15-7-5-4-6-10(15)11-8-13-9-14(11)2/h8-10H,3-7H2,1-2H3/t10-/m1/s1 |
| InChIKey | InChI | 1.06 | ZRIHLDNGAGNVRX-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N1CCCC[C@@H]1c2cncn2C |
| SMILES | CACTVS | 3.385 | CCC(=O)N1CCCC[CH]1c2cncn2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)N1CCCC[C@@H]1c2cncn2C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)N1CCCCC1c2cncn2C |
