4-(1-benzofuran-2-carbonyl)-6-ethyl-1-[(4-methoxyphenyl)methyl]piperazin-2-one

C23H24N2O4 — CID 10340470

IUPAC4-(1-benzofuran-2-carbonyl)-6-ethyl-1-[(4-methoxyphenyl)methyl]piperazin-2-one
SMILESCCC1CN(C(=O)c2cc3ccccc3o2)CC(=O)N1Cc1ccc(OC)cc1
InChIInChI=1S/C23H24N2O4/c1-3-18-14-24(23(27)21-12-17-6-4-5-7-20(17)29-21)15-22(26)25(18)13-16-8-10-19(28-2)11-9-16/h4-12,18H,3,13-15H2,1-2H3
InChIKeyVROKHQBUELHBBH-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.70
Rot. Bonds5

About 4-(1-benzofuran-2-carbonyl)-6-ethyl-1-[(4-methoxyphenyl)methyl]piperazin-2-one

4-(1-benzofuran-2-carbonyl)-6-ethyl-1-[(4-methoxyphenyl)methyl]piperazin-2-one (PubChem CID 10340470) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-(1-benzofuran-2-carbonyl)-6-ethyl-1-[(4-methoxyphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-(1-benzofuran-2-carbonyl)-6-ethyl-1-[(4-methoxyphenyl)methyl]piperazin-2-one
PubChem CID10340470
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name4-(1-benzofuran-2-carbonyl)-6-ethyl-1-[(4-methoxyphenyl)methyl]piperazin-2-one
SMILESCCC1CN(C(=O)c2cc3ccccc3o2)CC(=O)N1Cc1ccc(OC)cc1
InChIInChI=1S/C23H24N2O4/c1-3-18-14-24(23(27)21-12-17-6-4-5-7-20(17)29-21)15-22(26)25(18)13-16-8-10-19(28-2)11-9-16/h4-12,18H,3,13-15H2,1-2H3
InChIKeyVROKHQBUELHBBH-UHFFFAOYSA-N
XLogP3.70
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-4-(5-methoxy-1-benzofuran-2-carbonyl)-1-[(3-methylphenyl)methyl]-6-(2-phenylethyl)piperazin-2-one
CID 155534907
(6S)-4-(4-methoxybenzoyl)-6-(2-phenylethyl)-1-(pyridin-4-ylmethyl)piperazin-2-one
CID 122600866
[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473746
1-benzofuran-2-yl-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 37351016
1-benzofuran-2-yl-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403971
3-(1-benzofuran-2-carbonyl)-1-[(4-ethoxyphenyl)methyl]-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 108689277
(6S)-1-[(3-fluorophenyl)methyl]-4-(4-methoxybenzoyl)-6-(2-phenylethyl)piperazin-2-one
CID 122600868
1-benzofuran-2-yl-(2,5-diethylpiperazin-1-yl)methanone
CID 64978460
(6S)-1-[(5-chloro-2-hydroxyphenyl)methyl]-4-(4-methoxybenzoyl)-6-(2-phenylethyl)piperazin-2-one
CID 122601030
1-benzofuran-2-yl-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone
CID 42532487
(6S)-6-but-3-enyl-4-(4-methoxybenzoyl)-1-[(4-methylsulfanylphenyl)methyl]piperazin-2-one
CID 145164186
(3-aminoazetidin-1-yl)-(1-benzofuran-2-yl)methanone
CID 63755277

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-carbonyl)-6-ethyl-1-[(4-methoxyphenyl)methyl]piperazin-2-one?
The IUPAC name of 4-(1-benzofuran-2-carbonyl)-6-ethyl-1-[(4-methoxyphenyl)methyl]piperazin-2-one (CID 10340470) is 4-(1-benzofuran-2-carbonyl)-6-ethyl-1-[(4-methoxyphenyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-(1-benzofuran-2-carbonyl)-6-ethyl-1-[(4-methoxyphenyl)methyl]piperazin-2-one?
The canonical SMILES for 4-(1-benzofuran-2-carbonyl)-6-ethyl-1-[(4-methoxyphenyl)methyl]piperazin-2-one is CCC1CN(C(=O)c2cc3ccccc3o2)CC(=O)N1Cc1ccc(OC)cc1.
What is the InChIKey of 4-(1-benzofuran-2-carbonyl)-6-ethyl-1-[(4-methoxyphenyl)methyl]piperazin-2-one?
The InChIKey is VROKHQBUELHBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-3-18-14-24(23(27)21-12-17-6-4-5-7-20(17)29-21)15-22(26)25(18)13-16-8-10-19(28-2)11-9-16/h4-12,18H,3,13-15H2,1-2H3.
What are the key properties of 4-(1-benzofuran-2-carbonyl)-6-ethyl-1-[(4-methoxyphenyl)methyl]piperazin-2-one?
4-(1-benzofuran-2-carbonyl)-6-ethyl-1-[(4-methoxyphenyl)methyl]piperazin-2-one has a molecular weight of 392.46 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-carbonyl)-6-ethyl-1-[(4-methoxyphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 10340470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).