2-(5-ethyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone

C22H24N2O2 — CID 18872472

IUPAC2-(5-ethyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCCc1ccc2occ(CC(=O)N3CCN(c4ccccc4)CC3)c2c1
InChIInChI=1S/C22H24N2O2/c1-2-17-8-9-21-20(14-17)18(16-26-21)15-22(25)24-12-10-23(11-13-24)19-6-4-3-5-7-19/h3-9,14,16H,2,10-13,15H2,1H3
InChIKeyBICYPUDTRVJNSZ-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.89
Rot. Bonds4

About 2-(5-ethyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone

2-(5-ethyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 18872472) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-(5-ethyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(5-ethyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID18872472
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name2-(5-ethyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCCc1ccc2occ(CC(=O)N3CCN(c4ccccc4)CC3)c2c1
InChIInChI=1S/C22H24N2O2/c1-2-17-8-9-21-20(14-17)18(16-26-21)15-22(25)24-12-10-23(11-13-24)19-6-4-3-5-7-19/h3-9,14,16H,2,10-13,15H2,1H3
InChIKeyBICYPUDTRVJNSZ-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzylpiperidin-1-yl)-2-(5-ethyl-1-benzofuran-3-yl)ethanone
CID 18860504
2-(5-methoxy-1-benzofuran-3-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 18860283
1-(4-benzylpiperazin-1-yl)-2-(5-methyl-1-benzofuran-3-yl)ethanone
CID 18860467
3-ethyl-8-[2-(5-ethyl-1-benzofuran-3-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70746131
1-(4-benzylpiperazin-1-yl)-2-(5-bromo-1-benzofuran-3-yl)ethanone
CID 18860427
phenyl 2-(5-ethyl-1-benzofuran-3-yl)acetate
CID 18872556
2-(5-ethyl-1-benzofuran-3-yl)acetamide
CID 18872501
2-(6-ethyl-1-benzofuran-3-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 18138904
2-(5-fluoro-1-benzofuran-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 18860190
2-(5-methoxy-1-benzofuran-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 18860278
ethyl 4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carboxylate
CID 110854089
1-(4-benzhydrylpiperazin-1-yl)-2-(5-methoxy-1-benzofuran-3-yl)ethanone
CID 18860274

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(5-ethyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone (CID 18872472) is 2-(5-ethyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(5-ethyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(5-ethyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone is CCc1ccc2occ(CC(=O)N3CCN(c4ccccc4)CC3)c2c1.
What is the InChIKey of 2-(5-ethyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is BICYPUDTRVJNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-2-17-8-9-21-20(14-17)18(16-26-21)15-22(25)24-12-10-23(11-13-24)19-6-4-3-5-7-19/h3-9,14,16H,2,10-13,15H2,1H3.
What are the key properties of 2-(5-ethyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone?
2-(5-ethyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 348.45 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 18872472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).