AC1MGU1K
1-(4-benzylpiperazine-1-carbonyl)-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one
Also Known As: Oprea1_281576|IFLab1_005581|IDI1_010984|1-[(4-benzyl-1-piperazinyl)carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one|F1371-0110|(1S,4S)-1-(4-benzylpiperazine-1-carbonyl)-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one|4-(4-benzylpiperazine-1-carbonyl)-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptan-2-one|1,7,7-trimethyl-4-{[4-benzylpiperazinyl]carbonyl}-3-oxabicyclo[2.2.1]heptan-2- one|1-(4-BENZYLPIPERAZINE-1-CARBONYL)-4,7,7-TRIMETHYL-2-OXABICYCLO[2.2.1]HEPTAN-3-ONE|1-[(4-benzylpiperazin-1-yl)carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one|1,7,7-trimethyl-4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-3-oxabicyclo[2.2.1]heptan-2-one|1,7,7-trimethyl-4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-3-oxabicyclo[2.2.1]heptan-2-one
| Molecular Formula | C21H28N2O3 |
|---|---|
| Molecular Weight | 356.21 g/mol |
| LogP | 2.4527 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.21 |
| Monoisotopic Mass | 356.21 |
| Heavy Atoms | 26 |
| Complexity | 724.03156 |
Chemical Identifiers
| CAS Number | 577985-41-2 |
|---|---|
| SMILES | CC1(C2(CCC1(OC2=O)C(=O)N3CCN(CC3)CC4=CC=CC=C4)C)C |
Product Overview
AC1MGU1K (CAS 577985-41-2), with molecular formula C21H28N2O3 and molecular weight 356.21 g/mol. IUPAC: 1-(4-benzylpiperazine-1-carbonyl)-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one.
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