O1M
概要
| 表記: | 4-(4-fluorophenyl)piperazine-1-carboxamide |
| 組成式: | C11 H14 F N3 O |
| 電荷: | 0 |
| 化学式量: | 223.247 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 | 4-(4-fluorophenyl)piperazine-1-carboxamide |
| OpenEye OEToolkits | 2.0.6 | 4-(4-fluorophenyl)piperazine-1-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 | N2(C(N)=O)CCN(c1ccc(cc1)F)CC2 |
| InChI | InChI | 1.03 | InChI=1S/C11H14FN3O/c12-9-1-3-10(4-2-9)14-5-7-15(8-6-14)11(13)16/h1-4H,5-8H2,(H2,13,16) |
| InChIKey | InChI | 1.03 | XARVCWHXIZRCGB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)N1CCN(CC1)c2ccc(F)cc2 |
| SMILES | CACTVS | 3.385 | NC(=O)N1CCN(CC1)c2ccc(F)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1N2CCN(CC2)C(=O)N)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1N2CCN(CC2)C(=O)N)F |
