TL;DR: 1,3-Diazaspiro(4.4)nonan-2-one, 1-benzyl- (CAS 111964-37-5) is a chemical compound with molecular formula C14H18N2O and molecular weight 230.1419 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzyl-1,3-diazaspiro[4.4]nonan-2-one
Also Known As: 1,3-Diazaspiro(4.4)nonan-2-one, 1-benzyl-, TT-54-82, 1-Benzyl-1,3-diazaspiro(4.4)nonan-2-one, 1-Benzylo-5,5-tetrametylenoimidazolidynon-2, 1-Benzylo-5,5-tetrametylenoimidazolidynon-2 [Polish]
| Molecular Formula | C14H18N2O |
| Molecular Weight | 230.1419 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.1419 Da |
| Heavy Atoms | 17 |
| Complexity | 291.0 |
| SMILES | C1CCC2(C1)CNC(=O)N2CC3=CC=CC=C3 |
| InChIKey | XUGFIAZILZFJSS-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diazaspiro(4.4)nonan-2-one, 1-benzyl-. With a topological polar surface area (TPSA) of 32.3 Ų, 1,3-Diazaspiro(4.4)nonan-2-one, 1-benzyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Diazaspiro(4.4)nonan-2-one, 1-benzyl- has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,3-Diazaspiro(4.4)nonan-2-one, 1-benzyl- is 111964-37-5.
The molecular formula of 1,3-Diazaspiro(4.4)nonan-2-one, 1-benzyl- is C14H18N2O.
The molecular weight of 1,3-Diazaspiro(4.4)nonan-2-one, 1-benzyl- is 230.1419 g/mol.
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