A1BRW
Summary
| Name: | (3S)-1-[(1H-indazol-7-yl)acetyl]piperidine-3-carboxamide |
| Formula: | C15 H18 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 286.329 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-1-[(1H-indazol-7-yl)acetyl]piperidine-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-1-[2-(1~{H}-indazol-7-yl)ethanoyl]piperidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | NC(=O)C1CCCN(C1)C(=O)Cc1cccc2cn[NH]c12 |
| InChI | InChI | 1.06 | InChI=1S/C15H18N4O2/c16-15(21)12-5-2-6-19(9-12)13(20)7-10-3-1-4-11-8-17-18-14(10)11/h1,3-4,8,12H,2,5-7,9H2,(H2,16,21)(H,17,18)/t12-/m0/s1 |
| InChIKey | InChI | 1.06 | LGXQTWXKSGIVMI-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@H]1CCCN(C1)C(=O)Cc2cccc3cn[nH]c23 |
| SMILES | CACTVS | 3.385 | NC(=O)[CH]1CCCN(C1)C(=O)Cc2cccc3cn[nH]c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc2cn[nH]c2c(c1)CC(=O)N3CCC[C@@H](C3)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc2cn[nH]c2c(c1)CC(=O)N3CCCC(C3)C(=O)N |
