F1I
Summary
| Name: | N-[1-(2,6-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide |
| Synonyms: | N-[1-(2,6-dimethoxy-benzyl)-piperidin-4-yl]-4-mercapto-butyramide |
| Formula: | C18 H28 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 352.492 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[1-(2,6-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide |
| OpenEye OEToolkits | 1.5.0 | N-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]-4-sulfanyl-butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC2CCN(Cc1c(OC)cccc1OC)CC2)CCCS |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1cccc(OC)c1CN2CCC(CC2)NC(=O)CCCS |
| SMILES | CACTVS | 3.341 | COc1cccc(OC)c1CN2CCC(CC2)NC(=O)CCCS |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1cccc(c1CN2CCC(CC2)NC(=O)CCCS)OC |
| SMILES | OpenEye OEToolkits | 1.5.0 | COc1cccc(c1CN2CCC(CC2)NC(=O)CCCS)OC |
| InChI | InChI | 1.03 | InChI=1S/C18H28N2O3S/c1-22-16-5-3-6-17(23-2)15(16)13-20-10-8-14(9-11-20)19-18(21)7-4-12-24/h3,5-6,14,24H,4,7-13H2,1-2H3,(H,19,21) |
| InChIKey | InChI | 1.03 | MUDVORCZGBAHNA-UHFFFAOYSA-N |
