O1A
Summary
| Name: | N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide |
| Formula: | C13 H19 N3 O |
| Formal charge: | 0 |
| Formula weight: | 233.309 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[4-(4-methylpiperazin-1-yl)phenyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N1(CCN(CC1)C)c2ccc(cc2)NC(C)=O |
| InChI | InChI | 1.03 | InChI=1S/C13H19N3O/c1-11(17)14-12-3-5-13(6-4-12)16-9-7-15(2)8-10-16/h3-6H,7-10H2,1-2H3,(H,14,17) |
| InChIKey | InChI | 1.03 | QAEVFGOUSCYAPU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)c2ccc(NC(C)=O)cc2 |
| SMILES | CACTVS | 3.385 | CN1CCN(CC1)c2ccc(NC(C)=O)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)Nc1ccc(cc1)N2CCN(CC2)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)Nc1ccc(cc1)N2CCN(CC2)C |
