1-benzofuran-2-yl-[4-(2-phenoxyethyl)piperazin-1-yl]methanone

C21H22N2O3 — CID 9120469

IUPAC1-benzofuran-2-yl-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C21H22N2O3/c24-21(20-16-17-6-4-5-9-19(17)26-20)23-12-10-22(11-13-23)14-15-25-18-7-2-1-3-8-18/h1-9,16H,10-15H2
InChIKeyVXEWLVZWESUOHT-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.27
Rot. Bonds5

About 1-benzofuran-2-yl-[4-(2-phenoxyethyl)piperazin-1-yl]methanone

1-benzofuran-2-yl-[4-(2-phenoxyethyl)piperazin-1-yl]methanone (PubChem CID 9120469) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[4-(2-phenoxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
PubChem CID9120469
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name1-benzofuran-2-yl-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C21H22N2O3/c24-21(20-16-17-6-4-5-9-19(17)26-20)23-12-10-22(11-13-23)14-15-25-18-7-2-1-3-8-18/h1-9,16H,10-15H2
InChIKeyVXEWLVZWESUOHT-UHFFFAOYSA-N
XLogP3.27
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[4-(2-phenoxyethyl)piperazin-1-yl]methanone (CID 9120469) is 1-benzofuran-2-yl-[4-(2-phenoxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[4-(2-phenoxyethyl)piperazin-1-yl]methanone is O=C(c1cc2ccccc2o1)N1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of 1-benzofuran-2-yl-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
The InChIKey is VXEWLVZWESUOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c24-21(20-16-17-6-4-5-9-19(17)26-20)23-12-10-22(11-13-23)14-15-25-18-7-2-1-3-8-18/h1-9,16H,10-15H2.
What are the key properties of 1-benzofuran-2-yl-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
1-benzofuran-2-yl-[4-(2-phenoxyethyl)piperazin-1-yl]methanone has a molecular weight of 350.42 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[4-(2-phenoxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 9120469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).