1-(1-benzofuran-3-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone

C16H20N2O3 — CID 62025341

IUPAC1-(1-benzofuran-3-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(CCO)CC1)c1coc2ccccc12
InChIInChI=1S/C16H20N2O3/c19-10-9-17-5-7-18(8-6-17)11-15(20)14-12-21-16-4-2-1-3-13(14)16/h1-4,12,19H,5-11H2
InChIKeyVPVXBSFBTKPUIK-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.23
Rot. Bonds5

About 1-(1-benzofuran-3-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone

1-(1-benzofuran-3-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone (PubChem CID 62025341) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
PubChem CID62025341
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(1-benzofuran-3-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(CCO)CC1)c1coc2ccccc12
InChIInChI=1S/C16H20N2O3/c19-10-9-17-5-7-18(8-6-17)11-15(20)14-12-21-16-4-2-1-3-13(14)16/h1-4,12,19H,5-11H2
InChIKeyVPVXBSFBTKPUIK-UHFFFAOYSA-N
XLogP1.23
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(1-benzofuran-3-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone (CID 62025341) is 1-(1-benzofuran-3-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(1-benzofuran-3-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone is O=C(CN1CCN(CCO)CC1)c1coc2ccccc12.
What is the InChIKey of 1-(1-benzofuran-3-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The InChIKey is VPVXBSFBTKPUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-10-9-17-5-7-18(8-6-17)11-15(20)14-12-21-16-4-2-1-3-13(14)16/h1-4,12,19H,5-11H2.
What are the key properties of 1-(1-benzofuran-3-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
1-(1-benzofuran-3-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone has a molecular weight of 288.35 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 62025341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).