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

C22H28N2O3 — CID 55338053

IUPAC2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1coc2cc3c(cc12)CCC3)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C22H28N2O3/c25-22(24-8-6-23(7-9-24)14-19-5-2-10-26-19)13-18-15-27-21-12-17-4-1-3-16(17)11-20(18)21/h11-12,15,19H,1-10,13-14H2
InChIKeyUENJURVNTATVIK-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.79
Rot. Bonds4

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

2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 55338053) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
PubChem CID55338053
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1coc2cc3c(cc12)CCC3)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C22H28N2O3/c25-22(24-8-6-23(7-9-24)14-19-5-2-10-26-19)13-18-15-27-21-12-17-4-1-3-16(17)11-20(18)21/h11-12,15,19H,1-10,13-14H2
InChIKeyUENJURVNTATVIK-UHFFFAOYSA-N
XLogP2.79
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 78771248
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone
CID 119410925
1-(3-aminopiperidin-1-yl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone
CID 119379053
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 119645902
4-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 33006770
2-(4-fluorophenyl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 113073470
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 23402911
1-benzofuran-3-yl-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 171680757
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]ethanone
CID 9363431
3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230246
4-oxo-4-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butanoic acid
CID 60662642
3-oxo-3-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]propanenitrile
CID 129498331

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone (CID 55338053) is 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone is O=C(Cc1coc2cc3c(cc12)CCC3)N1CCN(CC2CCCO2)CC1.
What is the InChIKey of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is UENJURVNTATVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c25-22(24-8-6-23(7-9-24)14-19-5-2-10-26-19)13-18-15-27-21-12-17-4-1-3-16(17)11-20(18)21/h11-12,15,19H,1-10,13-14H2.
What are the key properties of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone?
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 368.48 g/mol, XLogP of 2.79, 4 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-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 55338053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).