Q1C
概要
| 表記: | 2-(4-methylpiperidin-1-yl)-N-(4-methylpyridin-3-yl)acetamide |
| 組成式: | C14 H21 N3 O |
| 電荷: | 0 |
| 化学式量: | 247.336 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 | 2-(4-methylpiperidin-1-yl)-N-(4-methylpyridin-3-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-(4-methylpiperidin-1-yl)-~{N}-(4-methylpyridin-3-yl)ethanamide |
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 | O=C(CN1CCC(C)CC1)Nc1cnccc1C |
| InChI | InChI | 1.06 | InChI=1S/C14H21N3O/c1-11-4-7-17(8-5-11)10-14(18)16-13-9-15-6-3-12(13)2/h3,6,9,11H,4-5,7-8,10H2,1-2H3,(H,16,18) |
| InChIKey | InChI | 1.06 | BZNRCHXVMKBNNF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1CCN(CC1)CC(=O)Nc2cnccc2C |
| SMILES | CACTVS | 3.385 | CC1CCN(CC1)CC(=O)Nc2cnccc2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)CN2CCC(CC2)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)CN2CCC(CC2)C |
