4-(5-ethyl-1-benzofuran-3-carbonyl)-1-(2-methoxyethyl)piperazin-2-one

C18H22N2O4 — CID 136542040

IUPAC4-(5-ethyl-1-benzofuran-3-carbonyl)-1-(2-methoxyethyl)piperazin-2-one
SMILESCCc1ccc2occ(C(=O)N3CCN(CCOC)C(=O)C3)c2c1
InChIInChI=1S/C18H22N2O4/c1-3-13-4-5-16-14(10-13)15(12-24-16)18(22)20-7-6-19(8-9-23-2)17(21)11-20/h4-5,10,12H,3,6-9,11H2,1-2H3
InChIKeyGPOVEJYTJYPPRL-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.93
Rot. Bonds5

About 4-(5-ethyl-1-benzofuran-3-carbonyl)-1-(2-methoxyethyl)piperazin-2-one

4-(5-ethyl-1-benzofuran-3-carbonyl)-1-(2-methoxyethyl)piperazin-2-one (PubChem CID 136542040) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 4-(5-ethyl-1-benzofuran-3-carbonyl)-1-(2-methoxyethyl)piperazin-2-one.

Molecular Properties

Compound Name4-(5-ethyl-1-benzofuran-3-carbonyl)-1-(2-methoxyethyl)piperazin-2-one
PubChem CID136542040
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name4-(5-ethyl-1-benzofuran-3-carbonyl)-1-(2-methoxyethyl)piperazin-2-one
SMILESCCc1ccc2occ(C(=O)N3CCN(CCOC)C(=O)C3)c2c1
InChIInChI=1S/C18H22N2O4/c1-3-13-4-5-16-14(10-13)15(12-24-16)18(22)20-7-6-19(8-9-23-2)17(21)11-20/h4-5,10,12H,3,6-9,11H2,1-2H3
InChIKeyGPOVEJYTJYPPRL-UHFFFAOYSA-N
XLogP1.93
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-1-benzofuran-3-carbonyl)-1-(2-methoxyethyl)piperazin-2-one?
The IUPAC name of 4-(5-ethyl-1-benzofuran-3-carbonyl)-1-(2-methoxyethyl)piperazin-2-one (CID 136542040) is 4-(5-ethyl-1-benzofuran-3-carbonyl)-1-(2-methoxyethyl)piperazin-2-one.
What is the SMILES notation for 4-(5-ethyl-1-benzofuran-3-carbonyl)-1-(2-methoxyethyl)piperazin-2-one?
The canonical SMILES for 4-(5-ethyl-1-benzofuran-3-carbonyl)-1-(2-methoxyethyl)piperazin-2-one is CCc1ccc2occ(C(=O)N3CCN(CCOC)C(=O)C3)c2c1.
What is the InChIKey of 4-(5-ethyl-1-benzofuran-3-carbonyl)-1-(2-methoxyethyl)piperazin-2-one?
The InChIKey is GPOVEJYTJYPPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-3-13-4-5-16-14(10-13)15(12-24-16)18(22)20-7-6-19(8-9-23-2)17(21)11-20/h4-5,10,12H,3,6-9,11H2,1-2H3.
What are the key properties of 4-(5-ethyl-1-benzofuran-3-carbonyl)-1-(2-methoxyethyl)piperazin-2-one?
4-(5-ethyl-1-benzofuran-3-carbonyl)-1-(2-methoxyethyl)piperazin-2-one has a molecular weight of 330.38 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-1-benzofuran-3-carbonyl)-1-(2-methoxyethyl)piperazin-2-one is sourced from PubChem (CID 136542040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).