1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone

C18H20N2O5 — CID 750519

IUPAC1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
SMILESCOc1ccc(OCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C18H20N2O5/c1-23-14-4-6-15(7-5-14)25-13-17(21)19-8-10-20(11-9-19)18(22)16-3-2-12-24-16/h2-7,12H,8-11,13H2,1H3
InChIKeyMLHPBLBIRWJQOT-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.65
Rot. Bonds5

About 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone

1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone (PubChem CID 750519) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
PubChem CID750519
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
SMILESCOc1ccc(OCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C18H20N2O5/c1-23-14-4-6-15(7-5-14)25-13-17(21)19-8-10-20(11-9-19)18(22)16-3-2-12-24-16/h2-7,12H,8-11,13H2,1H3
InChIKeyMLHPBLBIRWJQOT-UHFFFAOYSA-N
XLogP1.65
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone?
The IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone (CID 750519) is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone.
What is the SMILES notation for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone?
The canonical SMILES for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone is COc1ccc(OCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone?
The InChIKey is MLHPBLBIRWJQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-23-14-4-6-15(7-5-14)25-13-17(21)19-8-10-20(11-9-19)18(22)16-3-2-12-24-16/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone?
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone has a molecular weight of 344.37 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone is sourced from PubChem (CID 750519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).