2-(6-methyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone

C21H22N2O2 — CID 2546081

IUPAC2-(6-methyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCc1ccc2c(CC(=O)N3CCN(c4ccccc4)CC3)coc2c1
InChIInChI=1S/C21H22N2O2/c1-16-7-8-19-17(15-25-20(19)13-16)14-21(24)23-11-9-22(10-12-23)18-5-3-2-4-6-18/h2-8,13,15H,9-12,14H2,1H3
InChIKeyRVVNCTQMNJSSHC-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.63
Rot. Bonds3

About 2-(6-methyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone

2-(6-methyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 2546081) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(6-methyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(6-methyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID2546081
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name2-(6-methyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCc1ccc2c(CC(=O)N3CCN(c4ccccc4)CC3)coc2c1
InChIInChI=1S/C21H22N2O2/c1-16-7-8-19-17(15-25-20(19)13-16)14-21(24)23-11-9-22(10-12-23)18-5-3-2-4-6-18/h2-8,13,15H,9-12,14H2,1H3
InChIKeyRVVNCTQMNJSSHC-UHFFFAOYSA-N
XLogP3.63
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(6-methyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone (CID 2546081) is 2-(6-methyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(6-methyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(6-methyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone is Cc1ccc2c(CC(=O)N3CCN(c4ccccc4)CC3)coc2c1.
What is the InChIKey of 2-(6-methyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is RVVNCTQMNJSSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-16-7-8-19-17(15-25-20(19)13-16)14-21(24)23-11-9-22(10-12-23)18-5-3-2-4-6-18/h2-8,13,15H,9-12,14H2,1H3.
What are the key properties of 2-(6-methyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone?
2-(6-methyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 334.42 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 2546081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).