[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-benzoylbenzoate

C25H22N2O6 — CID 2365408

IUPAC[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-benzoylbenzoate
SMILESO=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C25H22N2O6/c28-22(26-12-14-27(15-13-26)24(30)21-11-6-16-32-21)17-33-25(31)20-10-5-4-9-19(20)23(29)18-7-2-1-3-8-18/h1-11,16H,12-15,17H2
InChIKeyXZFUVPWLGHJHLY-UHFFFAOYSA-N
MW446.46 g/mol
LogP2.65
Rot. Bonds6

About [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-benzoylbenzoate

[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-benzoylbenzoate (PubChem CID 2365408) has the molecular formula C25H22N2O6 and a molecular weight of 446.46 g/mol. Its IUPAC name is [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-benzoylbenzoate.

Molecular Properties

Compound Name[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-benzoylbenzoate
PubChem CID2365408
Molecular FormulaC25H22N2O6
Molecular Weight446.46 g/mol
Exact Mass446.15
IUPAC Name[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-benzoylbenzoate
SMILESO=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C25H22N2O6/c28-22(26-12-14-27(15-13-26)24(30)21-11-6-16-32-21)17-33-25(31)20-10-5-4-9-19(20)23(29)18-7-2-1-3-8-18/h1-11,16H,12-15,17H2
InChIKeyXZFUVPWLGHJHLY-UHFFFAOYSA-N
XLogP2.65
TPSA97.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-benzoylbenzoate?
The IUPAC name of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-benzoylbenzoate (CID 2365408) is [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-benzoylbenzoate.
What is the SMILES notation for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-benzoylbenzoate?
The canonical SMILES for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-benzoylbenzoate is O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-benzoylbenzoate?
The InChIKey is XZFUVPWLGHJHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O6/c28-22(26-12-14-27(15-13-26)24(30)21-11-6-16-32-21)17-33-25(31)20-10-5-4-9-19(20)23(29)18-7-2-1-3-8-18/h1-11,16H,12-15,17H2.
What are the key properties of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-benzoylbenzoate?
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-benzoylbenzoate has a molecular weight of 446.46 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-benzoylbenzoate is sourced from PubChem (CID 2365408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).