LDI
Summary
| Name: | 1-[2-(benzylamino)ethyl]-N-hydroxypiperidine-4-carboxamide |
| Formula: | C15 H23 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 277.362 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[2-(benzylamino)ethyl]-N-hydroxypiperidine-4-carboxamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-oxidanyl-1-[2-[(phenylmethyl)amino]ethyl]piperidine-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | ONC(=O)C1CCN(CCNCc2ccccc2)CC1 |
| InChI | InChI | 1.03 | InChI=1S/C15H23N3O2/c19-15(17-20)14-6-9-18(10-7-14)11-8-16-12-13-4-2-1-3-5-13/h1-5,14,16,20H,6-12H2,(H,17,19) |
| InChIKey | InChI | 1.03 | IKRHDIZZKCLEPC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ONC(=O)C1CCN(CCNCc2ccccc2)CC1 |
| SMILES | CACTVS | 3.385 | ONC(=O)C1CCN(CCNCc2ccccc2)CC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CNCCN2CCC(CC2)C(=O)NO |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CNCCN2CCC(CC2)C(=O)NO |
