F1H
Summary
| Name: | N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide |
| Synonyms: | N-(1-benzyl-piperidin-4-yl)-4-mercapto-butyramide |
| Formula: | C16 H24 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 292.44 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide |
| OpenEye OEToolkits | 1.5.0 | N-[1-(phenylmethyl)piperidin-4-yl]-4-sulfanyl-butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC2CCN(Cc1ccccc1)CC2)CCCS |
| SMILES_CANONICAL | CACTVS | 3.341 | SCCCC(=O)NC1CCN(CC1)Cc2ccccc2 |
| SMILES | CACTVS | 3.341 | SCCCC(=O)NC1CCN(CC1)Cc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CN2CCC(CC2)NC(=O)CCCS |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CN2CCC(CC2)NC(=O)CCCS |
| InChI | InChI | 1.03 | InChI=1S/C16H24N2OS/c19-16(7-4-12-20)17-15-8-10-18(11-9-15)13-14-5-2-1-3-6-14/h1-3,5-6,15,20H,4,7-13H2,(H,17,19) |
| InChIKey | InChI | 1.03 | XNIXPLIQGKQSIE-UHFFFAOYSA-N |
