TL;DR: [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-phenylcyclopentyl)methanone (CAS 1023849-96-8) is a chemical compound with molecular formula C24H28N2O3 and molecular weight 392.21 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-phenylcyclopentyl)methanone
Also Known As: 4-(BENZO[3,4-D]1,3-DIOXOLAN-5-YLMETHYL)PIPERAZINYL PHENYLCYCLOPENTYL KETONE, [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-phenylcyclopentyl)methanone, [4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-(1-phenylcyclopentyl)methanone, 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(1-phenylcyclopentanecarbonyl)piperazine
| Molecular Formula | C24H28N2O3 |
| Molecular Weight | 392.21 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 42.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.21 Da |
| Heavy Atoms | 29 |
| Complexity | 562.0 |
| SMILES | C1CCC(C1)(C2=CC=CC=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 |
| InChIKey | RRVQAKZGRSQSFH-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-phenylcyclopentyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.0 Ų, [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-phenylcyclopentyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-phenylcyclopentyl)methanone 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 [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-phenylcyclopentyl)methanone is 1023849-96-8.
The molecular formula of [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-phenylcyclopentyl)methanone is C24H28N2O3.
The molecular weight of [4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-phenylcyclopentyl)methanone is 392.21 g/mol.
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