2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone

C20H26N2O3 — CID 86913340

IUPAC2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone
SMILESCOCCN1CCN(C(=O)Cc2coc3cc4c(cc23)CCC4)CC1
InChIInChI=1S/C20H26N2O3/c1-24-10-9-21-5-7-22(8-6-21)20(23)13-17-14-25-19-12-16-4-2-3-15(16)11-18(17)19/h11-12,14H,2-10,13H2,1H3
InChIKeyOVZIHIWSYLVRHH-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.25
Rot. Bonds5

About 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone

2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone (PubChem CID 86913340) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone
PubChem CID86913340
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone
SMILESCOCCN1CCN(C(=O)Cc2coc3cc4c(cc23)CCC4)CC1
InChIInChI=1S/C20H26N2O3/c1-24-10-9-21-5-7-22(8-6-21)20(23)13-17-14-25-19-12-16-4-2-3-15(16)11-18(17)19/h11-12,14H,2-10,13H2,1H3
InChIKeyOVZIHIWSYLVRHH-UHFFFAOYSA-N
XLogP2.25
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone (CID 86913340) is 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone is COCCN1CCN(C(=O)Cc2coc3cc4c(cc23)CCC4)CC1.
What is the InChIKey of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone?
The InChIKey is OVZIHIWSYLVRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-24-10-9-21-5-7-22(8-6-21)20(23)13-17-14-25-19-12-16-4-2-3-15(16)11-18(17)19/h11-12,14H,2-10,13H2,1H3.
What are the key properties of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone?
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone has a molecular weight of 342.44 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 86913340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).