N0F
概要
| 表記: | (3R)-3-(4-hydroxypiperidin-1-yl)-N-(4-methylpyridin-3-yl)-3-(thiophen-3-yl)propanamide |
| 組成式: | C18 H23 N3 O2 S |
| 電荷: | 0 |
| 化学式量: | 345.459 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 | (3R)-3-(4-hydroxypiperidin-1-yl)-N-(4-methylpyridin-3-yl)-3-(thiophen-3-yl)propanamide |
| OpenEye OEToolkits | 2.0.7 | (3~{R})-~{N}-(4-methylpyridin-3-yl)-3-(4-oxidanylpiperidin-1-yl)-3-thiophen-3-yl-propanamide |
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 | Cc1ccncc1NC(=O)CC(N1CCC(O)CC1)c1ccsc1 |
| InChI | InChI | 1.06 | InChI=1S/C18H23N3O2S/c1-13-2-6-19-11-16(13)20-18(23)10-17(14-5-9-24-12-14)21-7-3-15(22)4-8-21/h2,5-6,9,11-12,15,17,22H,3-4,7-8,10H2,1H3,(H,20,23)/t17-/m1/s1 |
| InChIKey | InChI | 1.06 | ASXLXOCGCKXODB-QGZVFWFLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccncc1NC(=O)C[C@@H](N2CCC(O)CC2)c3cscc3 |
| SMILES | CACTVS | 3.385 | Cc1ccncc1NC(=O)C[CH](N2CCC(O)CC2)c3cscc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)C[C@H](c2ccsc2)N3CCC(CC3)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)CC(c2ccsc2)N3CCC(CC3)O |
