2-benzo[e][1]benzofuran-1-yl-1-(4-ethylpiperazin-1-yl)ethanone

C20H22N2O2 — CID 975057

IUPAC2-benzo[e][1]benzofuran-1-yl-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(=O)Cc2coc3ccc4ccccc4c23)CC1
InChIInChI=1S/C20H22N2O2/c1-2-21-9-11-22(12-10-21)19(23)13-16-14-24-18-8-7-15-5-3-4-6-17(15)20(16)18/h3-8,14H,2,9-13H2,1H3
InChIKeyKAFVJBSPXUJZRE-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.29
Rot. Bonds3

About 2-benzo[e][1]benzofuran-1-yl-1-(4-ethylpiperazin-1-yl)ethanone

2-benzo[e][1]benzofuran-1-yl-1-(4-ethylpiperazin-1-yl)ethanone (PubChem CID 975057) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-1-(4-ethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-1-(4-ethylpiperazin-1-yl)ethanone
PubChem CID975057
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-benzo[e][1]benzofuran-1-yl-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(=O)Cc2coc3ccc4ccccc4c23)CC1
InChIInChI=1S/C20H22N2O2/c1-2-21-9-11-22(12-10-21)19(23)13-16-14-24-18-8-7-15-5-3-4-6-17(15)20(16)18/h3-8,14H,2,9-13H2,1H3
InChIKeyKAFVJBSPXUJZRE-UHFFFAOYSA-N
XLogP3.29
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-1-(4-ethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-1-(4-ethylpiperazin-1-yl)ethanone (CID 975057) is 2-benzo[e][1]benzofuran-1-yl-1-(4-ethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-1-(4-ethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-1-(4-ethylpiperazin-1-yl)ethanone is CCN1CCN(C(=O)Cc2coc3ccc4ccccc4c23)CC1.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-1-(4-ethylpiperazin-1-yl)ethanone?
The InChIKey is KAFVJBSPXUJZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-2-21-9-11-22(12-10-21)19(23)13-16-14-24-18-8-7-15-5-3-4-6-17(15)20(16)18/h3-8,14H,2,9-13H2,1H3.
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-1-(4-ethylpiperazin-1-yl)ethanone?
2-benzo[e][1]benzofuran-1-yl-1-(4-ethylpiperazin-1-yl)ethanone has a molecular weight of 322.41 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-1-yl-1-(4-ethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 975057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).