A1BOF
Summary
| Name: | (3S)-1-[(2S)-2-phenyl-2-(1H-pyrazol-1-yl)acetyl]piperidine-3-carboxamide |
| Formula: | C17 H20 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 312.366 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-1-[(2S)-2-phenyl-2-(1H-pyrazol-1-yl)acetyl]piperidine-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-1-[(2~{S})-2-phenyl-2-pyrazol-1-yl-ethanoyl]piperidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(C(c1ccccc1)n1cccn1)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C17H20N4O2/c18-16(22)14-8-4-10-20(12-14)17(23)15(21-11-5-9-19-21)13-6-2-1-3-7-13/h1-3,5-7,9,11,14-15H,4,8,10,12H2,(H2,18,22)/t14-,15-/m0/s1 |
| InChIKey | InChI | 1.06 | QFDXKCWZNOGADA-GJZGRUSLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@H]1CCCN(C1)C(=O)[C@@H](n2cccn2)c3ccccc3 |
| SMILES | CACTVS | 3.385 | NC(=O)[CH]1CCCN(C1)C(=O)[CH](n2cccn2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)[C@@H](C(=O)N2CCC[C@@H](C2)C(=O)N)n3cccn3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)C(C(=O)N2CCCC(C2)C(=O)N)n3cccn3 |
