TL;DR: ethyl 1-(9H-xanthene-9-carbonyl)piperidine-3-carboxylate (CAS 349442-02-0) is a chemical compound with molecular formula C22H23NO4 and molecular weight 365.16272 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1-(9H-xanthene-9-carbonyl)piperidine-3-carboxylate
Also Known As: ethyl 1-(9H-xanthene-9-carbonyl)piperidine-3-carboxylate, BAS 03033823, ethyl 1-(9H-xanthen-9-ylcarbonyl)piperidine-3-carboxylate, 1-(9H-xanthene-9-carbonyl)nipecotic acid ethyl ester, BRD-A90454474-001-01-2
| Molecular Formula | C22H23NO4 |
| Molecular Weight | 365.16272 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 365.16272 Da |
| Heavy Atoms | 27 |
| Complexity | 528.0 |
| SMILES | CCOC(=O)C1CCCN(C1)C(=O)C2C3=CC=CC=C3OC4=CC=CC=C24 |
| InChIKey | JENKHIFRXUYYFD-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that ethyl 1-(9H-xanthene-9-carbonyl)piperidine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, ethyl 1-(9H-xanthene-9-carbonyl)piperidine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 1-(9H-xanthene-9-carbonyl)piperidine-3-carboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of ethyl 1-(9H-xanthene-9-carbonyl)piperidine-3-carboxylate is 349442-02-0.
The molecular formula of ethyl 1-(9H-xanthene-9-carbonyl)piperidine-3-carboxylate is C22H23NO4.
The molecular weight of ethyl 1-(9H-xanthene-9-carbonyl)piperidine-3-carboxylate is 365.16272 g/mol.
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