(2,5-dimethylfuran-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone

C17H20N2O3 — CID 24981685

IUPAC(2,5-dimethylfuran-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(c3ccccc3O)CC2)c(C)o1
InChIInChI=1S/C17H20N2O3/c1-12-11-14(13(2)22-12)17(21)19-9-7-18(8-10-19)15-5-3-4-6-16(15)20/h3-6,11,20H,7-10H2,1-2H3
InChIKeySJBNEPCLMOFMEH-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.56
Rot. Bonds2

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

(2,5-dimethylfuran-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone (PubChem CID 24981685) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
PubChem CID24981685
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name(2,5-dimethylfuran-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(c3ccccc3O)CC2)c(C)o1
InChIInChI=1S/C17H20N2O3/c1-12-11-14(13(2)22-12)17(21)19-9-7-18(8-10-19)15-5-3-4-6-16(15)20/h3-6,11,20H,7-10H2,1-2H3
InChIKeySJBNEPCLMOFMEH-UHFFFAOYSA-N
XLogP2.56
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone
CID 2101213
1-[4-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 25332880
4-(2,5-dimethylfuran-3-carbonyl)-N-phenylpiperazine-1-carboxamide
CID 51276164
4-acetyl-3-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]benzonitrile
CID 133456802
[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone
CID 87028582
(2,5-difluorophenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 78802706
(2,5-dimethylfuran-3-yl)-[4-(5-nitroquinolin-6-yl)piperazin-1-yl]methanone
CID 47054757
N'-(2,5-dimethylfuran-3-carbonyl)-4-phenylpiperazine-1-carbohydrazide
CID 18552343
(2,5-dimethylfuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 78802306
[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134026633
(2,5-dimethylfuran-3-yl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63308395
(2,5-dimethylfuran-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 24655561

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone (CID 24981685) is (2,5-dimethylfuran-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(c3ccccc3O)CC2)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
The InChIKey is SJBNEPCLMOFMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12-11-14(13(2)22-12)17(21)19-9-7-18(8-10-19)15-5-3-4-6-16(15)20/h3-6,11,20H,7-10H2,1-2H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
(2,5-dimethylfuran-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone has a molecular weight of 300.36 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 24981685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).