K3D
Summary
| Name: | 4-acetyl-N-ethylpiperazine-1-carboxamide |
| Formula: | C9 H17 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 199.25 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-acetyl-N-ethylpiperazine-1-carboxamide |
| OpenEye OEToolkits | 2.0.6 | 4-ethanoyl-~{N}-ethyl-piperazine-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N1(CCN(CC1)C(=O)C)C(NCC)=O |
| InChI | InChI | 1.03 | InChI=1S/C9H17N3O2/c1-3-10-9(14)12-6-4-11(5-7-12)8(2)13/h3-7H2,1-2H3,(H,10,14) |
| InChIKey | InChI | 1.03 | DXJHUMXFQJQTMZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNC(=O)N1CCN(CC1)C(C)=O |
| SMILES | CACTVS | 3.385 | CCNC(=O)N1CCN(CC1)C(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCNC(=O)N1CCN(CC1)C(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCNC(=O)N1CCN(CC1)C(=O)C |
