A1B2A
Summary
| Name: | (3S)-1-[(2R)-1-methyl-2,3-dihydro-1H-indole-2-carbonyl]piperidine-3-carboxamide (non-preferred name) |
| Formula: | C16 H21 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 287.357 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-1-[(2R)-1-methyl-2,3-dihydro-1H-indole-2-carbonyl]piperidine-3-carboxamide (non-preferred name) |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-1-[[(2~{R})-1-methyl-2,3-dihydroindol-2-yl]carbonyl]piperidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(C1Cc2ccccc2N1C)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C16H21N3O2/c1-18-13-7-3-2-5-11(13)9-14(18)16(21)19-8-4-6-12(10-19)15(17)20/h2-3,5,7,12,14H,4,6,8-10H2,1H3,(H2,17,20)/t12-,14+/m0/s1 |
| InChIKey | InChI | 1.06 | FQLFBKZMFUCKAK-GXTWGEPZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1[C@H](Cc2ccccc12)C(=O)N3CCC[C@@H](C3)C(N)=O |
| SMILES | CACTVS | 3.385 | CN1[CH](Cc2ccccc12)C(=O)N3CCC[CH](C3)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CN1c2ccccc2C[C@@H]1C(=O)N3CCC[C@@H](C3)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CN1c2ccccc2CC1C(=O)N3CCCC(C3)C(=O)N |
