2-(5-methoxy-1-benzofuran-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

C22H24N2O4 — CID 18860278

IUPAC2-(5-methoxy-1-benzofuran-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccc2occ(CC(=O)N3CCN(c4ccccc4OC)CC3)c2c1
InChIInChI=1S/C22H24N2O4/c1-26-17-7-8-20-18(14-17)16(15-28-20)13-22(25)24-11-9-23(10-12-24)19-5-3-4-6-21(19)27-2/h3-8,14-15H,9-13H2,1-2H3
InChIKeyIQVLEQPQRVDTOX-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.34
Rot. Bonds5

About 2-(5-methoxy-1-benzofuran-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

2-(5-methoxy-1-benzofuran-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 18860278) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-(5-methoxy-1-benzofuran-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-methoxy-1-benzofuran-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID18860278
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name2-(5-methoxy-1-benzofuran-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccc2occ(CC(=O)N3CCN(c4ccccc4OC)CC3)c2c1
InChIInChI=1S/C22H24N2O4/c1-26-17-7-8-20-18(14-17)16(15-28-20)13-22(25)24-11-9-23(10-12-24)19-5-3-4-6-21(19)27-2/h3-8,14-15H,9-13H2,1-2H3
InChIKeyIQVLEQPQRVDTOX-UHFFFAOYSA-N
XLogP3.34
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-fluoro-1-benzofuran-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 18860190
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 7922202
2-(5-methoxy-1-benzofuran-3-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 18860283
2-(5-methoxy-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone
CID 110488784
1-(4-benzhydrylpiperazin-1-yl)-2-(5-methoxy-1-benzofuran-3-yl)ethanone
CID 18860274
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone
CID 8867499
2-(furan-2-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 110690646
3-(3-methoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 34318339
2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 16827128
3-(3,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 8867327
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 9336093
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 9201217

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1-benzofuran-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(5-methoxy-1-benzofuran-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone (CID 18860278) is 2-(5-methoxy-1-benzofuran-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(5-methoxy-1-benzofuran-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(5-methoxy-1-benzofuran-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone is COc1ccc2occ(CC(=O)N3CCN(c4ccccc4OC)CC3)c2c1.
What is the InChIKey of 2-(5-methoxy-1-benzofuran-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is IQVLEQPQRVDTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-26-17-7-8-20-18(14-17)16(15-28-20)13-22(25)24-11-9-23(10-12-24)19-5-3-4-6-21(19)27-2/h3-8,14-15H,9-13H2,1-2H3.
What are the key properties of 2-(5-methoxy-1-benzofuran-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
2-(5-methoxy-1-benzofuran-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 380.44 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1-benzofuran-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 18860278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).