[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone

C20H18N2O4 — CID 166230750

IUPAC[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
SMILESO=C(c1cc2ccccc2o1)N1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C20H18N2O4/c23-16-7-3-2-6-15(16)19(24)21-9-11-22(12-10-21)20(25)18-13-14-5-1-4-8-17(14)26-18/h1-8,13,23H,9-12H2
InChIKeyLENMXJAQSMOMNE-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.74
Rot. Bonds2

About [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone

[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone (PubChem CID 166230750) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
PubChem CID166230750
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
SMILESO=C(c1cc2ccccc2o1)N1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C20H18N2O4/c23-16-7-3-2-6-15(16)19(24)21-9-11-22(12-10-21)20(25)18-13-14-5-1-4-8-17(14)26-18/h1-8,13,23H,9-12H2
InChIKeyLENMXJAQSMOMNE-UHFFFAOYSA-N
XLogP2.74
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 46416874
[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-[2-(trifluoromethylsulfanyl)phenyl]methanone
CID 32540990
ethyl 4-(1-benzofuran-2-carbonyl)piperazine-1-carboxylate
CID 6457707
[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(1-oxidopyridin-1-ium-2-yl)methanone
CID 167853128
1-benzofuran-2-yl-(4-methylpiperazin-4-ium-1-yl)methanone
CID 7640327
1-benzofuran-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2707484
1-benzofuran-2-yl-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403971
1-benzofuran-2-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 2575317
1-benzofuran-2-yl-[4-(2-chloroethyl)-1,4-diazepan-1-yl]methanone
CID 63394374
(3-aminoazetidin-1-yl)-(1-benzofuran-2-yl)methanone
CID 63755277
1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone
CID 55188193
1-benzofuran-2-yl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 25284842

Frequently Asked Questions

What is the IUPAC name of [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone?
The IUPAC name of [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone (CID 166230750) is [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone.
What is the SMILES notation for [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone?
The canonical SMILES for [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone is O=C(c1cc2ccccc2o1)N1CCN(C(=O)c2ccccc2O)CC1.
What is the InChIKey of [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone?
The InChIKey is LENMXJAQSMOMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c23-16-7-3-2-6-15(16)19(24)21-9-11-22(12-10-21)20(25)18-13-14-5-1-4-8-17(14)26-18/h1-8,13,23H,9-12H2.
What are the key properties of [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone?
[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone has a molecular weight of 350.37 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 166230750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).