O4F
概要
| 表記: | N-(1-cyanocyclopropyl)-1-(3-methylpyridin-4-yl)piperidine-4-carboxamide |
| 組成式: | C16 H20 N4 O |
| 電荷: | 0 |
| 化学式量: | 284.356 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | N-(1-cyanocyclopropyl)-1-(3-methylpyridin-4-yl)piperidine-4-carboxamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(1-cyanocyclopropyl)-1-(3-methylpyridin-4-yl)piperidine-4-carboxamide |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | N#CC1(CC1)NC(=O)C1CCN(CC1)c1ccncc1C |
| InChI | InChI | 1.03 | InChI=1S/C16H20N4O/c1-12-10-18-7-2-14(12)20-8-3-13(4-9-20)15(21)19-16(11-17)5-6-16/h2,7,10,13H,3-6,8-9H2,1H3,(H,19,21) |
| InChIKey | InChI | 1.03 | VADYKWPOUVEKIU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cnccc1N2CCC(CC2)C(=O)NC3(CC3)C#N |
| SMILES | CACTVS | 3.385 | Cc1cnccc1N2CCC(CC2)C(=O)NC3(CC3)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cnccc1N2CCC(CC2)C(=O)NC3(CC3)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cnccc1N2CCC(CC2)C(=O)NC3(CC3)C#N |
