89W
Summary
| Name: | N-[(3R)-piperidin-3-yl]benzamide |
| Formula: | C12 H16 N2 O |
| Formal charge: | 0 |
| Formula weight: | 204.268 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(3R)-piperidin-3-yl]benzamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(3~{R})-piperidin-3-yl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC1CCCNC1)c1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C12H16N2O/c15-12(10-5-2-1-3-6-10)14-11-7-4-8-13-9-11/h1-3,5-6,11,13H,4,7-9H2,(H,14,15)/t11-/m1/s1 |
| InChIKey | InChI | 1.03 | ZFLKDMGBVZHBAC-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(N[C@@H]1CCCNC1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | O=C(N[CH]1CCCNC1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(=O)N[C@@H]2CCCNC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(=O)NC2CCCNC2 |
