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

C25H24N2O6 — CID 2354633

IUPAC[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-phenylmethoxybenzoate
SMILESO=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C25H24N2O6/c28-23(26-12-14-27(15-13-26)24(29)22-11-6-16-31-22)18-33-25(30)20-9-4-5-10-21(20)32-17-19-7-2-1-3-8-19/h1-11,16H,12-15,17-18H2
InChIKeyMBRJJSJXUXHXNC-UHFFFAOYSA-N
MW448.48 g/mol
LogP3.00
Rot. Bonds7

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

[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-phenylmethoxybenzoate (PubChem CID 2354633) has the molecular formula C25H24N2O6 and a molecular weight of 448.48 g/mol. Its IUPAC name is [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-phenylmethoxybenzoate.

Molecular Properties

Compound Name[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-phenylmethoxybenzoate
PubChem CID2354633
Molecular FormulaC25H24N2O6
Molecular Weight448.48 g/mol
Exact Mass448.16
IUPAC Name[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-phenylmethoxybenzoate
SMILESO=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C25H24N2O6/c28-23(26-12-14-27(15-13-26)24(29)22-11-6-16-31-22)18-33-25(30)20-9-4-5-10-21(20)32-17-19-7-2-1-3-8-19/h1-11,16H,12-15,17-18H2
InChIKeyMBRJJSJXUXHXNC-UHFFFAOYSA-N
XLogP3.00
TPSA89.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 53.00
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-phenylmethoxybenzoate?
The IUPAC name of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-phenylmethoxybenzoate (CID 2354633) is [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-phenylmethoxybenzoate.
What is the SMILES notation for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-phenylmethoxybenzoate?
The canonical SMILES for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-phenylmethoxybenzoate is O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1OCc1ccccc1.
What is the InChIKey of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-phenylmethoxybenzoate?
The InChIKey is MBRJJSJXUXHXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O6/c28-23(26-12-14-27(15-13-26)24(29)22-11-6-16-31-22)18-33-25(30)20-9-4-5-10-21(20)32-17-19-7-2-1-3-8-19/h1-11,16H,12-15,17-18H2.
What are the key properties of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-phenylmethoxybenzoate?
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-phenylmethoxybenzoate has a molecular weight of 448.48 g/mol, XLogP of 3.00, 7 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-phenylmethoxybenzoate is sourced from PubChem (CID 2354633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).