U0Y
Summary
| Name: | 1-[4-(4-methylbenzene-1-carbonyl)piperazin-1-yl]ethan-1-one |
| Formula: | C14 H18 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 246.305 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[4-(4-methylbenzene-1-carbonyl)piperazin-1-yl]ethan-1-one |
| OpenEye OEToolkits | 2.0.7 | 1-[4-(4-methylphenyl)carbonylpiperazin-1-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N2(CCN(C(c1ccc(cc1)C)=O)CC2)C(C)=O |
| InChI | InChI | 1.03 | InChI=1S/C14H18N2O2/c1-11-3-5-13(6-4-11)14(18)16-9-7-15(8-10-16)12(2)17/h3-6H,7-10H2,1-2H3 |
| InChIKey | InChI | 1.03 | DRKSMECTOWRXKP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCN(CC1)C(=O)c2ccc(C)cc2 |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCN(CC1)C(=O)c2ccc(C)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)C(=O)N2CCN(CC2)C(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)C(=O)N2CCN(CC2)C(=O)C |
