I81
Summary
| Name: | 1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide |
| Formula: | C14 H20 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 248.321 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide |
| OpenEye OEToolkits | 2.0.7 | 1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(=O)C1CCN(Cc2cc(OC)ccc2)CC1 |
| InChI | InChI | 1.03 | InChI=1S/C14H20N2O2/c1-18-13-4-2-3-11(9-13)10-16-7-5-12(6-8-16)14(15)17/h2-4,9,12H,5-8,10H2,1H3,(H2,15,17) |
| InChIKey | InChI | 1.03 | WXCVYHZGCBQABJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(CN2CCC(CC2)C(N)=O)c1 |
| SMILES | CACTVS | 3.385 | COc1cccc(CN2CCC(CC2)C(N)=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1)CN2CCC(CC2)C(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1)CN2CCC(CC2)C(=O)N |
