LQI
Summary
| Name: | (1-benzofuran-2-yl)(4-methylpiperidin-1-yl)methanone |
| Formula: | C15 H17 N O2 |
| Formal charge: | 0 |
| Formula weight: | 243.301 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1-benzofuran-2-yl)(4-methylpiperidin-1-yl)methanone |
| OpenEye OEToolkits | 2.0.7 | 1-benzofuran-2-yl-(4-methylpiperidin-1-yl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC1CCN(CC1)C(=O)c1cc2ccccc2o1 |
| InChI | InChI | 1.03 | InChI=1S/C15H17NO2/c1-11-6-8-16(9-7-11)15(17)14-10-12-4-2-3-5-13(12)18-14/h2-5,10-11H,6-9H2,1H3 |
| InChIKey | InChI | 1.03 | XNQRJSVFBWPVGG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1CCN(CC1)C(=O)c2oc3ccccc3c2 |
| SMILES | CACTVS | 3.385 | CC1CCN(CC1)C(=O)c2oc3ccccc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1CCN(CC1)C(=O)c2cc3ccccc3o2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCN(CC1)C(=O)c2cc3ccccc3o2 |
