NDI
Summary
| Name: | 2-(4-acetylpiperazin-1-yl)-N-(4-methylpyridin-3-yl)acetamide |
| Formula: | C14 H20 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 276.334 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(4-acetylpiperazin-1-yl)-N-(4-methylpyridin-3-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-(4-ethanoylpiperazin-1-yl)-~{N}-(4-methylpyridin-3-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(CN1CCN(CC1)C(C)=O)Nc1cnccc1C |
| InChI | InChI | 1.06 | InChI=1S/C14H20N4O2/c1-11-3-4-15-9-13(11)16-14(20)10-17-5-7-18(8-6-17)12(2)19/h3-4,9H,5-8,10H2,1-2H3,(H,16,20) |
| InChIKey | InChI | 1.06 | YHXAYSKGSZLMHI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCN(CC1)CC(=O)Nc2cnccc2C |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCN(CC1)CC(=O)Nc2cnccc2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)CN2CCN(CC2)C(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)CN2CCN(CC2)C(=O)C |
