2-(4,6-dimethyl-1-benzofuran-3-yl)-1-(4-ethylpiperazin-1-yl)ethanone

C18H24N2O2 — CID 2243457

IUPAC2-(4,6-dimethyl-1-benzofuran-3-yl)-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(=O)Cc2coc3cc(C)cc(C)c23)CC1
InChIInChI=1S/C18H24N2O2/c1-4-19-5-7-20(8-6-19)17(21)11-15-12-22-16-10-13(2)9-14(3)18(15)16/h9-10,12H,4-8,11H2,1-3H3
InChIKeyGGPQDYKLYNEWFP-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.76
Rot. Bonds3

About 2-(4,6-dimethyl-1-benzofuran-3-yl)-1-(4-ethylpiperazin-1-yl)ethanone

2-(4,6-dimethyl-1-benzofuran-3-yl)-1-(4-ethylpiperazin-1-yl)ethanone (PubChem CID 2243457) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-(4,6-dimethyl-1-benzofuran-3-yl)-1-(4-ethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4,6-dimethyl-1-benzofuran-3-yl)-1-(4-ethylpiperazin-1-yl)ethanone
PubChem CID2243457
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2-(4,6-dimethyl-1-benzofuran-3-yl)-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(=O)Cc2coc3cc(C)cc(C)c23)CC1
InChIInChI=1S/C18H24N2O2/c1-4-19-5-7-20(8-6-19)17(21)11-15-12-22-16-10-13(2)9-14(3)18(15)16/h9-10,12H,4-8,11H2,1-3H3
InChIKeyGGPQDYKLYNEWFP-UHFFFAOYSA-N
XLogP2.76
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-1-benzofuran-3-yl)-1-(4-ethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4,6-dimethyl-1-benzofuran-3-yl)-1-(4-ethylpiperazin-1-yl)ethanone (CID 2243457) is 2-(4,6-dimethyl-1-benzofuran-3-yl)-1-(4-ethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4,6-dimethyl-1-benzofuran-3-yl)-1-(4-ethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4,6-dimethyl-1-benzofuran-3-yl)-1-(4-ethylpiperazin-1-yl)ethanone is CCN1CCN(C(=O)Cc2coc3cc(C)cc(C)c23)CC1.
What is the InChIKey of 2-(4,6-dimethyl-1-benzofuran-3-yl)-1-(4-ethylpiperazin-1-yl)ethanone?
The InChIKey is GGPQDYKLYNEWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-4-19-5-7-20(8-6-19)17(21)11-15-12-22-16-10-13(2)9-14(3)18(15)16/h9-10,12H,4-8,11H2,1-3H3.
What are the key properties of 2-(4,6-dimethyl-1-benzofuran-3-yl)-1-(4-ethylpiperazin-1-yl)ethanone?
2-(4,6-dimethyl-1-benzofuran-3-yl)-1-(4-ethylpiperazin-1-yl)ethanone has a molecular weight of 300.40 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-1-benzofuran-3-yl)-1-(4-ethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 2243457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).