1-(1-benzofuran-3-yl)-2-piperazin-1-ylethanone

C14H16N2O2 — CID 62052483

IUPAC1-(1-benzofuran-3-yl)-2-piperazin-1-ylethanone
SMILESO=C(CN1CCNCC1)c1coc2ccccc12
InChIInChI=1S/C14H16N2O2/c17-13(9-16-7-5-15-6-8-16)12-10-18-14-4-2-1-3-11(12)14/h1-4,10,15H,5-9H2
InChIKeyZABVOLUMNBZRNE-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.52
Rot. Bonds3

About 1-(1-benzofuran-3-yl)-2-piperazin-1-ylethanone

1-(1-benzofuran-3-yl)-2-piperazin-1-ylethanone (PubChem CID 62052483) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-2-piperazin-1-ylethanone.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-2-piperazin-1-ylethanone
PubChem CID62052483
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-(1-benzofuran-3-yl)-2-piperazin-1-ylethanone
SMILESO=C(CN1CCNCC1)c1coc2ccccc12
InChIInChI=1S/C14H16N2O2/c17-13(9-16-7-5-15-6-8-16)12-10-18-14-4-2-1-3-11(12)14/h1-4,10,15H,5-9H2
InChIKeyZABVOLUMNBZRNE-UHFFFAOYSA-N
XLogP1.52
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzofuran-3-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 62025341
N-(2-piperazin-1-ylethyl)-1-benzofuran-3-carboxamide;hydrochloride
CID 119449206
1-(1-benzofuran-3-yl)-2-(4-methylazepan-1-yl)ethanone
CID 63623178
1-(1-benzofuran-3-yl)-2-chloroethanone
CID 77174807
1-(1-benzofuran-3-yl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 64596560
1-[2-(1-benzofuran-3-yl)-2-oxoethyl]azepane-2,7-dione
CID 62024167
1-(1-benzofuran-3-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 106587755
CID 89242212
CID 89242212
1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione
CID 62025761
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(1-benzofuran-3-yl)ethanone
CID 65320067
1-(1-benzofuran-3-yl)-2-(2-methylimidazol-1-yl)ethanone
CID 43797949
1-[2-(1-benzofuran-3-yl)-2-oxoethyl]pyrrole-2-carbonitrile
CID 114651480

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-2-piperazin-1-ylethanone?
The IUPAC name of 1-(1-benzofuran-3-yl)-2-piperazin-1-ylethanone (CID 62052483) is 1-(1-benzofuran-3-yl)-2-piperazin-1-ylethanone.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-2-piperazin-1-ylethanone?
The canonical SMILES for 1-(1-benzofuran-3-yl)-2-piperazin-1-ylethanone is O=C(CN1CCNCC1)c1coc2ccccc12.
What is the InChIKey of 1-(1-benzofuran-3-yl)-2-piperazin-1-ylethanone?
The InChIKey is ZABVOLUMNBZRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-13(9-16-7-5-15-6-8-16)12-10-18-14-4-2-1-3-11(12)14/h1-4,10,15H,5-9H2.
What are the key properties of 1-(1-benzofuran-3-yl)-2-piperazin-1-ylethanone?
1-(1-benzofuran-3-yl)-2-piperazin-1-ylethanone has a molecular weight of 244.29 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-2-piperazin-1-ylethanone is sourced from PubChem (CID 62052483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).