A1BPP
Summary
| Name: | (3S)-N~1~-(1-methyl-1H-indazol-4-yl)piperidine-1,3-dicarboxamide |
| Formula: | C15 H19 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 301.344 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-N~1~-(1-methyl-1H-indazol-4-yl)piperidine-1,3-dicarboxamide |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-~{N}1-(1-methylindazol-4-yl)piperidine-1,3-dicarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | NC(=O)C1CCCN(C1)C(=O)Nc1cccc2c1cnn2C |
| InChI | InChI | 1.06 | InChI=1S/C15H19N5O2/c1-19-13-6-2-5-12(11(13)8-17-19)18-15(22)20-7-3-4-10(9-20)14(16)21/h2,5-6,8,10H,3-4,7,9H2,1H3,(H2,16,21)(H,18,22)/t10-/m0/s1 |
| InChIKey | InChI | 1.06 | ZWLQWOFMLDHIDB-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1ncc2c(NC(=O)N3CCC[C@@H](C3)C(N)=O)cccc12 |
| SMILES | CACTVS | 3.385 | Cn1ncc2c(NC(=O)N3CCC[CH](C3)C(N)=O)cccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cn1c2cccc(c2cn1)NC(=O)N3CCC[C@@H](C3)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cn1c2cccc(c2cn1)NC(=O)N3CCCC(C3)C(=O)N |
