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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Related Compounds

(5-ethyl-1-benzofuran-3-yl)-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]methanone
CID 126827785
(5-ethyl-1-benzofuran-3-yl)-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 122152358
(5-ethyl-1-benzofuran-3-yl)-[2-(hydroxymethyl)azetidin-1-yl]methanone
CID 136567414
5-ethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-benzofuran-3-carboxamide
CID 136541811
5-ethyl-N-[2-(methylcarbamoylamino)ethyl]-1-benzofuran-3-carboxamide
CID 126841948
[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(5-ethyl-1-benzofuran-3-yl)methanone
CID 154789366
4-(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)-1-(2-methoxyethyl)piperazin-2-one
CID 75396893
5-ethyl-N-[(3R,5S)-5-methyl-2-oxooxolan-3-yl]-1-benzofuran-3-carboxamide
CID 125144254
5-ethyl-N-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]-1-benzofuran-3-carboxamide
CID 125144255
5-ethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-3-carboxamide
CID 100653314
5-ethyl-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1-benzofuran-3-carboxamide
CID 122158461
2-(5-ethyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 18872472

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).