[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate

C24H30N2O6 — CID 24818130

IUPAC[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
SMILESCC(C)c1cc(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c(O)c(C(C)C)c1
InChIInChI=1S/C24H30N2O6/c1-15(2)17-12-18(16(3)4)22(28)19(13-17)24(30)32-14-21(27)25-7-9-26(10-8-25)23(29)20-6-5-11-31-20/h5-6,11-13,15-16,28H,7-10,14H2,1-4H3
InChIKeyIHPZPHJWPIIMBK-UHFFFAOYSA-N
MW442.51 g/mol
LogP3.37
Rot. Bonds6

About [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate

[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate (PubChem CID 24818130) has the molecular formula C24H30N2O6 and a molecular weight of 442.51 g/mol. Its IUPAC name is [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate.

Molecular Properties

Compound Name[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
PubChem CID24818130
Molecular FormulaC24H30N2O6
Molecular Weight442.51 g/mol
Exact Mass442.21
IUPAC Name[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
SMILESCC(C)c1cc(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c(O)c(C(C)C)c1
InChIInChI=1S/C24H30N2O6/c1-15(2)17-12-18(16(3)4)22(28)19(13-17)24(30)32-14-21(27)25-7-9-26(10-8-25)23(29)20-6-5-11-31-20/h5-6,11-13,15-16,28H,7-10,14H2,1-4H3
InChIKeyIHPZPHJWPIIMBK-UHFFFAOYSA-N
XLogP3.37
TPSA100.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 53.37
H-Bond Donors ≤ 51
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-hydroxy-3,5-di(propan-2-yl)benzoate?
The IUPAC name of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate (CID 24818130) is [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate.
What is the SMILES notation for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate?
The canonical SMILES for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate is CC(C)c1cc(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c(O)c(C(C)C)c1.
What is the InChIKey of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate?
The InChIKey is IHPZPHJWPIIMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O6/c1-15(2)17-12-18(16(3)4)22(28)19(13-17)24(30)32-14-21(27)25-7-9-26(10-8-25)23(29)20-6-5-11-31-20/h5-6,11-13,15-16,28H,7-10,14H2,1-4H3.
What are the key properties of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate?
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate has a molecular weight of 442.51 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 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-hydroxy-3,5-di(propan-2-yl)benzoate is sourced from PubChem (CID 24818130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).