TL;DR: 1-(2-phenyl-1H-indol-3-yl)-2-piperidino-1,2-ethanedione (CAS 102318-27-4) is a chemical compound with molecular formula C21H20N2O2 and molecular weight 332.15247 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-phenyl-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione
Also Known As: 1-(2-phenyl-1H-indol-3-yl)-2-piperidino-1,2-ethanedione, 1-(2-phenyl-1H-indol-3-yl)-2-(piperidin-1-yl)ethane-1,2-dione, 1-(2-phenyl-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione, 1R-1024, 1-(2-phenylindol-3-yl)-2-piperidylethane-1,2-dione
| Molecular Formula | C21H20N2O2 |
| Molecular Weight | 332.15247 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 53.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.15247 Da |
| Heavy Atoms | 25 |
| Complexity | 494.0 |
| SMILES | C1CCN(CC1)C(=O)C(=O)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4 |
| InChIKey | VGZLFDCJSLGJOG-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that 1-(2-phenyl-1H-indol-3-yl)-2-piperidino-1,2-ethanedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.2 Ų, 1-(2-phenyl-1H-indol-3-yl)-2-piperidino-1,2-ethanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-phenyl-1H-indol-3-yl)-2-piperidino-1,2-ethanedione has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(2-phenyl-1H-indol-3-yl)-2-piperidino-1,2-ethanedione is 102318-27-4.
The molecular formula of 1-(2-phenyl-1H-indol-3-yl)-2-piperidino-1,2-ethanedione is C21H20N2O2.
The molecular weight of 1-(2-phenyl-1H-indol-3-yl)-2-piperidino-1,2-ethanedione is 332.15247 g/mol.
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