4-[5-(4-fluorophenyl)-4-phenylfuran-2-carbonyl]piperazin-2-one

C21H17FN2O3 — CID 46832587

IUPAC4-[5-(4-fluorophenyl)-4-phenylfuran-2-carbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)c2cc(-c3ccccc3)c(-c3ccc(F)cc3)o2)CCN1
InChIInChI=1S/C21H17FN2O3/c22-16-8-6-15(7-9-16)20-17(14-4-2-1-3-5-14)12-18(27-20)21(26)24-11-10-23-19(25)13-24/h1-9,12H,10-11,13H2,(H,23,25)
InChIKeyIMRPLEUNZURSJD-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.32
Rot. Bonds3

About 4-[5-(4-fluorophenyl)-4-phenylfuran-2-carbonyl]piperazin-2-one

4-[5-(4-fluorophenyl)-4-phenylfuran-2-carbonyl]piperazin-2-one (PubChem CID 46832587) has the molecular formula C21H17FN2O3 and a molecular weight of 364.38 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-4-phenylfuran-2-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-4-phenylfuran-2-carbonyl]piperazin-2-one
PubChem CID46832587
Molecular FormulaC21H17FN2O3
Molecular Weight364.38 g/mol
Exact Mass364.12
IUPAC Name4-[5-(4-fluorophenyl)-4-phenylfuran-2-carbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)c2cc(-c3ccccc3)c(-c3ccc(F)cc3)o2)CCN1
InChIInChI=1S/C21H17FN2O3/c22-16-8-6-15(7-9-16)20-17(14-4-2-1-3-5-14)12-18(27-20)21(26)24-11-10-23-19(25)13-24/h1-9,12H,10-11,13H2,(H,23,25)
InChIKeyIMRPLEUNZURSJD-UHFFFAOYSA-N
XLogP3.32
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4,5-bis(3-chlorophenyl)furan-2-carbonyl]piperazin-2-one
CID 58064791
4-[4-(5-chloro-2-fluorophenyl)-5-(3-chlorophenyl)furan-2-carbonyl]piperazin-2-one
CID 46832879
4-(4,5-diphenylpyridine-2-carbonyl)piperazin-2-one
CID 170715914
4-(3-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxylic acid
CID 58064799
5-[3-(3-chloro-5-fluorophenyl)-5-(4-oxoimidazolidine-1-carbonyl)furan-2-yl]-2-fluorobenzonitrile
CID 58064793
4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazin-2-one
CID 47123816
4-(3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carbonyl)piperazin-2-one
CID 135096385
4-[2-(4-phenylphenoxy)propanoyl]piperazin-2-one
CID 42957173
4-(4-bromo-2-fluorobenzoyl)piperazin-2-one
CID 24701148
4-(6-fluoropyridine-2-carbonyl)piperazin-2-one
CID 115496615
4-[2-(4-fluorophenoxy)acetyl]piperazin-2-one
CID 31095507
4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)piperazin-2-one
CID 170715907

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-4-phenylfuran-2-carbonyl]piperazin-2-one?
The IUPAC name of 4-[5-(4-fluorophenyl)-4-phenylfuran-2-carbonyl]piperazin-2-one (CID 46832587) is 4-[5-(4-fluorophenyl)-4-phenylfuran-2-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-4-phenylfuran-2-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[5-(4-fluorophenyl)-4-phenylfuran-2-carbonyl]piperazin-2-one is O=C1CN(C(=O)c2cc(-c3ccccc3)c(-c3ccc(F)cc3)o2)CCN1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-4-phenylfuran-2-carbonyl]piperazin-2-one?
The InChIKey is IMRPLEUNZURSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O3/c22-16-8-6-15(7-9-16)20-17(14-4-2-1-3-5-14)12-18(27-20)21(26)24-11-10-23-19(25)13-24/h1-9,12H,10-11,13H2,(H,23,25).
What are the key properties of 4-[5-(4-fluorophenyl)-4-phenylfuran-2-carbonyl]piperazin-2-one?
4-[5-(4-fluorophenyl)-4-phenylfuran-2-carbonyl]piperazin-2-one has a molecular weight of 364.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-4-phenylfuran-2-carbonyl]piperazin-2-one is sourced from PubChem (CID 46832587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).