A1DPC
Summary
| Name: | 1-[4-(1H-indol-3-yl)piperidin-1-yl]ethan-1-one |
| Formula: | C15 H18 N2 O |
| Formal charge: | 0 |
| Formula weight: | 242.316 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-[4-(1H-indol-3-yl)piperidin-1-yl]ethan-1-one |
| OpenEye OEToolkits | 3.1.0.0 | 1-[4-(1~{H}-indol-3-yl)piperidin-1-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(C)N1CCC(CC1)c1c[NH]c2ccccc12 |
| InChI | InChI | 1.06 | InChI=1S/C15H18N2O/c1-11(18)17-8-6-12(7-9-17)14-10-16-15-5-3-2-4-13(14)15/h2-5,10,12,16H,6-9H2,1H3 |
| InChIKey | InChI | 1.06 | PRFIVCWVSORYRV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCC(CC1)c2c[nH]c3ccccc23 |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCC(CC1)c2c[nH]c3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(=O)N1CCC(CC1)c2c[nH]c3c2cccc3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(=O)N1CCC(CC1)c2c[nH]c3c2cccc3 |
