5YS
Summary
| Name: | ~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]-4-pyridin-4-yl-piperidine-1-carboxamide |
| Formula: | C20 H25 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 339.431 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]-4-pyridin-4-yl-piperidine-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H25N3O2/c1-15(18-4-3-5-19(14-18)25-2)22-20(24)23-12-8-17(9-13-23)16-6-10-21-11-7-16/h3-7,10-11,14-15,17H,8-9,12-13H2,1-2H3,(H,22,24)/t15-/m1/s1 |
| InChIKey | InChI | 1.03 | TUPUYLLHTGZRRB-OAHLLOKOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(c1)[C@@H](C)NC(=O)N2CCC(CC2)c3ccncc3 |
| SMILES | CACTVS | 3.385 | COc1cccc(c1)[CH](C)NC(=O)N2CCC(CC2)c3ccncc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](c1cccc(c1)OC)NC(=O)N2CCC(CC2)c3ccncc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1cccc(c1)OC)NC(=O)N2CCC(CC2)c3ccncc3 |
