1-(4-benzylpiperazin-1-yl)-2-(5-methyl-1-benzofuran-3-yl)ethanone

C22H24N2O2 — CID 18860467

IUPAC1-(4-benzylpiperazin-1-yl)-2-(5-methyl-1-benzofuran-3-yl)ethanone
SMILESCc1ccc2occ(CC(=O)N3CCN(Cc4ccccc4)CC3)c2c1
InChIInChI=1S/C22H24N2O2/c1-17-7-8-21-20(13-17)19(16-26-21)14-22(25)24-11-9-23(10-12-24)15-18-5-3-2-4-6-18/h2-8,13,16H,9-12,14-15H2,1H3
InChIKeyRVMFWPXXJGNEAT-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.63
Rot. Bonds4

About 1-(4-benzylpiperazin-1-yl)-2-(5-methyl-1-benzofuran-3-yl)ethanone

1-(4-benzylpiperazin-1-yl)-2-(5-methyl-1-benzofuran-3-yl)ethanone (PubChem CID 18860467) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-(5-methyl-1-benzofuran-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-(5-methyl-1-benzofuran-3-yl)ethanone
PubChem CID18860467
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-(5-methyl-1-benzofuran-3-yl)ethanone
SMILESCc1ccc2occ(CC(=O)N3CCN(Cc4ccccc4)CC3)c2c1
InChIInChI=1S/C22H24N2O2/c1-17-7-8-21-20(13-17)19(16-26-21)14-22(25)24-11-9-23(10-12-24)15-18-5-3-2-4-6-18/h2-8,13,16H,9-12,14-15H2,1H3
InChIKeyRVMFWPXXJGNEAT-UHFFFAOYSA-N
XLogP3.63
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzylpiperazin-1-yl)-2-(5-bromo-1-benzofuran-3-yl)ethanone
CID 18860427
1-(4-benzylpiperazin-1-yl)-2-(4,6-dimethyl-1-benzofuran-3-yl)ethanone
CID 18859351
N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]-2-phenylacetohydrazide
CID 18872421
2-(5-ethyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 18872472
2-(2-methylphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 60613987
1-(4-benzylpiperidin-1-yl)-2-(5-chloro-1-benzofuran-3-yl)ethanone
CID 18860355
1-(4-benzylpiperazin-1-yl)-2-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110773664
1-(4-benzylpiperidin-1-yl)-2-(5-ethyl-1-benzofuran-3-yl)ethanone
CID 18860504
1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone
CID 18872277
ethyl 4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carboxylate
CID 110854089
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(5-methyl-1-benzofuran-3-yl)ethanone?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(5-methyl-1-benzofuran-3-yl)ethanone (CID 18860467) is 1-(4-benzylpiperazin-1-yl)-2-(5-methyl-1-benzofuran-3-yl)ethanone.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-(5-methyl-1-benzofuran-3-yl)ethanone?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-(5-methyl-1-benzofuran-3-yl)ethanone is Cc1ccc2occ(CC(=O)N3CCN(Cc4ccccc4)CC3)c2c1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-(5-methyl-1-benzofuran-3-yl)ethanone?
The InChIKey is RVMFWPXXJGNEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-17-7-8-21-20(13-17)19(16-26-21)14-22(25)24-11-9-23(10-12-24)15-18-5-3-2-4-6-18/h2-8,13,16H,9-12,14-15H2,1H3.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-(5-methyl-1-benzofuran-3-yl)ethanone?
1-(4-benzylpiperazin-1-yl)-2-(5-methyl-1-benzofuran-3-yl)ethanone has a molecular weight of 348.45 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2-(5-methyl-1-benzofuran-3-yl)ethanone is sourced from PubChem (CID 18860467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).