ZQ5
Summary
| Name: | N-butyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide |
| Formula: | C14 H21 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 295.4 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-butyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-butyl-4-thiophen-2-ylcarbonyl-piperazine-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N1CCN(CC1)C(=O)NCCCC)c1cccs1 |
| InChI | InChI | 1.06 | InChI=1S/C14H21N3O2S/c1-2-3-6-15-14(19)17-9-7-16(8-10-17)13(18)12-5-4-11-20-12/h4-5,11H,2-3,6-10H2,1H3,(H,15,19) |
| InChIKey | InChI | 1.06 | KQCWSCBKZIBMBD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCNC(=O)N1CCN(CC1)C(=O)c2sccc2 |
| SMILES | CACTVS | 3.385 | CCCCNC(=O)N1CCN(CC1)C(=O)c2sccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCNC(=O)N1CCN(CC1)C(=O)c2cccs2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCNC(=O)N1CCN(CC1)C(=O)c2cccs2 |
