1-(4-benzylpiperazin-1-yl)-2-(4,6-dimethyl-1-benzofuran-3-yl)ethanone

C23H26N2O2 — CID 18859351

IUPAC1-(4-benzylpiperazin-1-yl)-2-(4,6-dimethyl-1-benzofuran-3-yl)ethanone
SMILESCc1cc(C)c2c(CC(=O)N3CCN(Cc4ccccc4)CC3)coc2c1
InChIInChI=1S/C23H26N2O2/c1-17-12-18(2)23-20(16-27-21(23)13-17)14-22(26)25-10-8-24(9-11-25)15-19-6-4-3-5-7-19/h3-7,12-13,16H,8-11,14-15H2,1-2H3
InChIKeyVRVYTVKBOLANEJ-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.94
Rot. Bonds4

About 1-(4-benzylpiperazin-1-yl)-2-(4,6-dimethyl-1-benzofuran-3-yl)ethanone

1-(4-benzylpiperazin-1-yl)-2-(4,6-dimethyl-1-benzofuran-3-yl)ethanone (PubChem CID 18859351) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-(4,6-dimethyl-1-benzofuran-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-(4,6-dimethyl-1-benzofuran-3-yl)ethanone
PubChem CID18859351
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-(4,6-dimethyl-1-benzofuran-3-yl)ethanone
SMILESCc1cc(C)c2c(CC(=O)N3CCN(Cc4ccccc4)CC3)coc2c1
InChIInChI=1S/C23H26N2O2/c1-17-12-18(2)23-20(16-27-21(23)13-17)14-22(26)25-10-8-24(9-11-25)15-19-6-4-3-5-7-19/h3-7,12-13,16H,8-11,14-15H2,1-2H3
InChIKeyVRVYTVKBOLANEJ-UHFFFAOYSA-N
XLogP3.94
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-benzylpiperazin-1-yl)-2-(4,6-dimethyl-1-benzofuran-3-yl)ethanone with MolForge

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Related Compounds

1-(4-benzylpiperazin-1-yl)-2-(5-methyl-1-benzofuran-3-yl)ethanone
CID 18860467
1-(4-benzylpiperazin-1-yl)-2-(5-bromo-1-benzofuran-3-yl)ethanone
CID 18860427
2-(4,6-dimethyl-1-benzofuran-3-yl)-1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 119069770
2-(2-methylphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 60613987
2-(4,6-dimethyl-1-benzofuran-3-yl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone
CID 118770423
1-(4-benzylpiperazin-1-yl)-2-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110773664
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
1-(4-benzylpiperazin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone
CID 110680052
2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 18871909
1-(4-benzylpiperazin-1-yl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 56921578
1-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 60614765
N-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]-2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 18861350

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(4,6-dimethyl-1-benzofuran-3-yl)ethanone?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(4,6-dimethyl-1-benzofuran-3-yl)ethanone (CID 18859351) is 1-(4-benzylpiperazin-1-yl)-2-(4,6-dimethyl-1-benzofuran-3-yl)ethanone.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-(4,6-dimethyl-1-benzofuran-3-yl)ethanone?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-(4,6-dimethyl-1-benzofuran-3-yl)ethanone is Cc1cc(C)c2c(CC(=O)N3CCN(Cc4ccccc4)CC3)coc2c1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-(4,6-dimethyl-1-benzofuran-3-yl)ethanone?
The InChIKey is VRVYTVKBOLANEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-17-12-18(2)23-20(16-27-21(23)13-17)14-22(26)25-10-8-24(9-11-25)15-19-6-4-3-5-7-19/h3-7,12-13,16H,8-11,14-15H2,1-2H3.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-(4,6-dimethyl-1-benzofuran-3-yl)ethanone?
1-(4-benzylpiperazin-1-yl)-2-(4,6-dimethyl-1-benzofuran-3-yl)ethanone has a molecular weight of 362.47 g/mol, XLogP of 3.94, 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-(4,6-dimethyl-1-benzofuran-3-yl)ethanone is sourced from PubChem (CID 18859351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).