TL;DR: Piperazine, 1-((4,6-dihydro-4-oxo-3-phenylpyrido(2,1-a)isoindol-1-yl)carbonyl)-4-methyl-, monohydrochloride (CAS 141388-94-5) is a chemical compound with molecular formula C24H24ClN3O2 and molecular weight 421.1557 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-methylpiperazine-1-carbonyl)-3-phenyl-6H-pyrido[2,1-a]isoindol-4-one;hydrochloride
Also Known As: Piperazine, 1-((4,6-dihydro-4-oxo-3-phenylpyrido(2,1-a)isoindol-1-yl)carbonyl)-4-methyl-, monohydrochloride, 1-(4-methylpiperazine-1-carbonyl)-3-phenyl-6H-pyrido[2,1-a]isoindol-4-one hydrochloride, 1-(4-Methylpiperazine-1-carbonyl)-3-phenylpyrido[2,1-a]isoindol-4(6H)-one--hydrogen chloride (1/1)
| Molecular Formula | C24H24ClN3O2 |
| Molecular Weight | 421.1557 g/mol |
| XLogP | 3.3534 |
| Topological Polar Surface Area (TPSA) | 43.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 421.1557 Da |
| Heavy Atoms | 30 |
| Complexity | 741.0 |
| SMILES | CN1CCN(CC1)C(=O)C2=C3C4=CC=CC=C4CN3C(=O)C(=C2)C5=CC=CC=C5.Cl |
| InChIKey | ALKFOJVRDNKBSG-UHFFFAOYSA-N |
The XLogP value of 3.3534 indicates that Piperazine, 1-((4,6-dihydro-4-oxo-3-phenylpyrido(2,1-a)isoindol-1-yl)carbonyl)-4-methyl-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.9 Ų, Piperazine, 1-((4,6-dihydro-4-oxo-3-phenylpyrido(2,1-a)isoindol-1-yl)carbonyl)-4-methyl-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperazine, 1-((4,6-dihydro-4-oxo-3-phenylpyrido(2,1-a)isoindol-1-yl)carbonyl)-4-methyl-, monohydrochloride has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Piperazine, 1-((4,6-dihydro-4-oxo-3-phenylpyrido(2,1-a)isoindol-1-yl)carbonyl)-4-methyl-, monohydrochloride is 141388-94-5.
The molecular formula of Piperazine, 1-((4,6-dihydro-4-oxo-3-phenylpyrido(2,1-a)isoindol-1-yl)carbonyl)-4-methyl-, monohydrochloride is C24H24ClN3O2.
The molecular weight of Piperazine, 1-((4,6-dihydro-4-oxo-3-phenylpyrido(2,1-a)isoindol-1-yl)carbonyl)-4-methyl-, monohydrochloride is 421.1557 g/mol.
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