[4-(2-benzoylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone

C23H24N2O4 — CID 51183590

IUPAC[4-(2-benzoylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(c1ccccc1)c1ccccc1C(=O)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C23H24N2O4/c26-21(17-7-2-1-3-8-17)18-9-4-5-10-19(18)22(27)24-12-14-25(15-13-24)23(28)20-11-6-16-29-20/h1-5,7-10,20H,6,11-16H2
InChIKeyGCWOTIKWFMPOOU-UHFFFAOYSA-N
MW392.45 g/mol
LogP2.38
Rot. Bonds4

About [4-(2-benzoylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone

[4-(2-benzoylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 51183590) has the molecular formula C23H24N2O4 and a molecular weight of 392.45 g/mol. Its IUPAC name is [4-(2-benzoylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-benzoylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID51183590
Molecular FormulaC23H24N2O4
Molecular Weight392.45 g/mol
Exact Mass392.17
IUPAC Name[4-(2-benzoylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(c1ccccc1)c1ccccc1C(=O)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C23H24N2O4/c26-21(17-7-2-1-3-8-17)18-9-4-5-10-19(18)22(27)24-12-14-25(15-13-24)23(28)20-11-6-16-29-20/h1-5,7-10,20H,6,11-16H2
InChIKeyGCWOTIKWFMPOOU-UHFFFAOYSA-N
XLogP2.38
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone
CID 4782471
[4-(3-hydroxynaphthalene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51144884
oxolan-2-yl-[4-(5-phenyl-1,2-oxazole-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 119074966
[(2R)-oxolan-2-yl]-[4-(5-phenyl-1,2-oxazole-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 126454402
oxolan-2-yl-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110807152
[4-(3-hydroxybenzoyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 108547614
4-fluoro-N-[2-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 55371330
oxolan-2-yl-(3-phenylpyrrolidin-1-yl)methanone
CID 110871538
5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyridin-2-one
CID 91954933
[(2S)-oxolan-2-yl]-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 7831176
1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 110797536
methyl N-[1-[2-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]piperidin-4-yl]carbamate
CID 46038431

Frequently Asked Questions

What is the IUPAC name of [4-(2-benzoylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(2-benzoylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 51183590) is [4-(2-benzoylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(2-benzoylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(2-benzoylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone is O=C(c1ccccc1)c1ccccc1C(=O)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of [4-(2-benzoylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is GCWOTIKWFMPOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c26-21(17-7-2-1-3-8-17)18-9-4-5-10-19(18)22(27)24-12-14-25(15-13-24)23(28)20-11-6-16-29-20/h1-5,7-10,20H,6,11-16H2.
What are the key properties of [4-(2-benzoylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(2-benzoylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 392.45 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-benzoylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 51183590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).