A1BN9
Summary
| Name: | (3S)-1-[(2-methyl-2H-indazol-4-yl)acetyl]piperidine-3-carboxamide |
| Formula: | C16 H20 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 300.356 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-1-[(2-methyl-2H-indazol-4-yl)acetyl]piperidine-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-1-[2-(2-methylindazol-4-yl)ethanoyl]piperidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | NC(=O)C1CCCN(C1)C(=O)Cc1cccc2nn(C)cc12 |
| InChI | InChI | 1.06 | InChI=1S/C16H20N4O2/c1-19-10-13-11(4-2-6-14(13)18-19)8-15(21)20-7-3-5-12(9-20)16(17)22/h2,4,6,10,12H,3,5,7-9H2,1H3,(H2,17,22)/t12-/m0/s1 |
| InChIKey | InChI | 1.06 | GWEIDNCYZCGNCA-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc2c(CC(=O)N3CCC[C@@H](C3)C(N)=O)cccc2n1 |
| SMILES | CACTVS | 3.385 | Cn1cc2c(CC(=O)N3CCC[CH](C3)C(N)=O)cccc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cn1cc2c(cccc2n1)CC(=O)N3CCC[C@@H](C3)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cn1cc2c(cccc2n1)CC(=O)N3CCCC(C3)C(=O)N |
