1-(1-benzofuran-2-yl)-2-(4-phenylpiperazin-1-yl)ethanone

C20H20N2O2 — CID 14509719

IUPAC1-(1-benzofuran-2-yl)-2-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2ccccc2)CC1)c1cc2ccccc2o1
InChIInChI=1S/C20H20N2O2/c23-18(20-14-16-6-4-5-9-19(16)24-20)15-21-10-12-22(13-11-21)17-7-2-1-3-8-17/h1-9,14H,10-13,15H2
InChIKeyMHDAMNKVPWDHQP-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.44
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-2-(4-phenylpiperazin-1-yl)ethanone

1-(1-benzofuran-2-yl)-2-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 14509719) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(4-phenylpiperazin-1-yl)ethanone
PubChem CID14509719
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name1-(1-benzofuran-2-yl)-2-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2ccccc2)CC1)c1cc2ccccc2o1
InChIInChI=1S/C20H20N2O2/c23-18(20-14-16-6-4-5-9-19(16)24-20)15-21-10-12-22(13-11-21)17-7-2-1-3-8-17/h1-9,14H,10-13,15H2
InChIKeyMHDAMNKVPWDHQP-UHFFFAOYSA-N
XLogP3.44
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzofuran-2-yl)-2-(1,4-oxazepan-4-yl)ethanone
CID 62973085
1-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanone
CID 61445139
1-(1-benzofuran-2-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone
CID 62206433
1-(1-benzofuran-2-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62024611
1-(1-benzofuran-2-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethanone
CID 43797305
1-[2-(1-benzofuran-2-yl)-2-oxoethyl]pyridin-2-one
CID 60774223
1-benzofuran-2-yl-(4-pyrrolidin-1-ylphenyl)methanone
CID 168514058
1-(1-benzofuran-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 71757920
1-(1-benzofuran-2-yl)-3-morpholin-4-ylpropan-1-one;hydrochloride
CID 14509721
1-(1-benzofuran-2-yl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanone
CID 62974685
3-[4-[4-(1-benzofuran-2-carbonylamino)butyl]piperazin-1-yl]benzoic acid
CID 11611517
1-benzofuran-2-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 2575317

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(4-phenylpiperazin-1-yl)ethanone (CID 14509719) is 1-(1-benzofuran-2-yl)-2-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(4-phenylpiperazin-1-yl)ethanone is O=C(CN1CCN(c2ccccc2)CC1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is MHDAMNKVPWDHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-18(20-14-16-6-4-5-9-19(16)24-20)15-21-10-12-22(13-11-21)17-7-2-1-3-8-17/h1-9,14H,10-13,15H2.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(4-phenylpiperazin-1-yl)ethanone?
1-(1-benzofuran-2-yl)-2-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 320.39 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 14509719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).