TL;DR: Coumarin, 6-amino-3-((piperidinocarbonyl)methyl)- (CAS 18144-59-7) is a chemical compound with molecular formula C16H18N2O3 and molecular weight 286.13174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-amino-3-(2-oxo-2-piperidin-1-ylethyl)chromen-2-one
Also Known As: 6-Amino-3-((piperidinocarbonyl)methyl)coumarin, COUMARIN, 6-AMINO-3-((PIPERIDINOCARBONYL)METHYL)-, 6-Amino-3-coumarinacetyl piperidide, 6-amino-3-(2-oxo-2-piperidin-1-ylethyl)chromen-2-one, 5-20-03-00448 (Beilstein Handbook Reference)
| Molecular Formula | C16H18N2O3 |
| Molecular Weight | 286.13174 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 72.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.13174 Da |
| Heavy Atoms | 21 |
| Complexity | 454.0 |
| SMILES | C1CCN(CC1)C(=O)CC2=CC3=C(C=CC(=C3)N)OC2=O |
| InChIKey | BMYCFOKWCXDLQE-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Coumarin, 6-amino-3-((piperidinocarbonyl)methyl)-. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Coumarin, 6-amino-3-((piperidinocarbonyl)methyl)-. Following Lipinski's Rule of Five, Coumarin, 6-amino-3-((piperidinocarbonyl)methyl)- has 1 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 Coumarin, 6-amino-3-((piperidinocarbonyl)methyl)- is 18144-59-7.
The molecular formula of Coumarin, 6-amino-3-((piperidinocarbonyl)methyl)- is C16H18N2O3.
The molecular weight of Coumarin, 6-amino-3-((piperidinocarbonyl)methyl)- is 286.13174 g/mol.
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