LS6
Summary
| Name: | (2E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide |
| Formula: | C16 H22 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 274.358 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide |
| OpenEye OEToolkits | 2.0.7 | (~{E})-~{N}-oxidanyl-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | ONC(=O)/C=C/C1CCN(CCc2ccccc2)CC1 |
| InChI | InChI | 1.03 | InChI=1S/C16H22N2O2/c19-16(17-20)7-6-15-9-12-18(13-10-15)11-8-14-4-2-1-3-5-14/h1-7,15,20H,8-13H2,(H,17,19) |
| InChIKey | InChI | 1.03 | LPMFCCCECUVGJJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ONC(=O)/C=C/C1CCN(CC1)CCc2ccccc2 |
| SMILES | CACTVS | 3.385 | ONC(=O)C=CC1CCN(CC1)CCc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCN2CCC(CC2)/C=C/C(=O)NO |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCN2CCC(CC2)C=CC(=O)NO |
