[4-(1,3-dihydro-2-benzofuran-5-carbonyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone

C20H20N2O4 — CID 75368891

IUPAC[4-(1,3-dihydro-2-benzofuran-5-carbonyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)N1CCN(C(=O)c2ccc3c(c2)COC3)CC1
InChIInChI=1S/C20H20N2O4/c23-18-5-3-14(4-6-18)19(24)21-7-9-22(10-8-21)20(25)15-1-2-16-12-26-13-17(16)11-15/h1-6,11,23H,7-10,12-13H2
InChIKeyWYNMXDPCZBLSMF-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.02
Rot. Bonds2

About [4-(1,3-dihydro-2-benzofuran-5-carbonyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone

[4-(1,3-dihydro-2-benzofuran-5-carbonyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone (PubChem CID 75368891) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is [4-(1,3-dihydro-2-benzofuran-5-carbonyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-(1,3-dihydro-2-benzofuran-5-carbonyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone
PubChem CID75368891
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name[4-(1,3-dihydro-2-benzofuran-5-carbonyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)N1CCN(C(=O)c2ccc3c(c2)COC3)CC1
InChIInChI=1S/C20H20N2O4/c23-18-5-3-14(4-6-18)19(24)21-7-9-22(10-8-21)20(25)15-1-2-16-12-26-13-17(16)11-15/h1-6,11,23H,7-10,12-13H2
InChIKeyWYNMXDPCZBLSMF-UHFFFAOYSA-N
XLogP2.02
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(1,3-dihydro-2-benzofuran-5-carbonyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone?
The IUPAC name of [4-(1,3-dihydro-2-benzofuran-5-carbonyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone (CID 75368891) is [4-(1,3-dihydro-2-benzofuran-5-carbonyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone.
What is the SMILES notation for [4-(1,3-dihydro-2-benzofuran-5-carbonyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone?
The canonical SMILES for [4-(1,3-dihydro-2-benzofuran-5-carbonyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone is O=C(c1ccc(O)cc1)N1CCN(C(=O)c2ccc3c(c2)COC3)CC1.
What is the InChIKey of [4-(1,3-dihydro-2-benzofuran-5-carbonyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone?
The InChIKey is WYNMXDPCZBLSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-18-5-3-14(4-6-18)19(24)21-7-9-22(10-8-21)20(25)15-1-2-16-12-26-13-17(16)11-15/h1-6,11,23H,7-10,12-13H2.
What are the key properties of [4-(1,3-dihydro-2-benzofuran-5-carbonyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone?
[4-(1,3-dihydro-2-benzofuran-5-carbonyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone has a molecular weight of 352.39 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-dihydro-2-benzofuran-5-carbonyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 75368891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).