1-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]butane-1,4-dione

C20H18F2N2O3 — CID 110426009

IUPAC1-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]butane-1,4-dione
SMILESO=C(CCC(=O)N1CCNC(=O)C1c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H18F2N2O3/c21-15-5-1-13(2-6-15)17(25)9-10-18(26)24-12-11-23-20(27)19(24)14-3-7-16(22)8-4-14/h1-8,19H,9-12H2,(H,23,27)
InChIKeyLRNZQJLHFNZNCC-UHFFFAOYSA-N
MW372.37 g/mol
LogP2.63
Rot. Bonds5

About 1-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]butane-1,4-dione

1-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]butane-1,4-dione (PubChem CID 110426009) has the molecular formula C20H18F2N2O3 and a molecular weight of 372.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]butane-1,4-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]butane-1,4-dione
PubChem CID110426009
Molecular FormulaC20H18F2N2O3
Molecular Weight372.37 g/mol
Exact Mass372.13
IUPAC Name1-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]butane-1,4-dione
SMILESO=C(CCC(=O)N1CCNC(=O)C1c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H18F2N2O3/c21-15-5-1-13(2-6-15)17(25)9-10-18(26)24-12-11-23-20(27)19(24)14-3-7-16(22)8-4-14/h1-8,19H,9-12H2,(H,23,27)
InChIKeyLRNZQJLHFNZNCC-UHFFFAOYSA-N
XLogP2.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione
CID 110426013
methyl 4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-4-oxobutanoate
CID 110669941
1-[3-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-3-oxopropyl]azepan-2-one
CID 131932980
4-(4-bromobenzoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428493
4-[2-(4-fluorophenyl)acetyl]-3-(4-methylphenyl)piperazin-2-one
CID 110420024
4-[2-(4-fluorophenyl)acetyl]-3-(4-methoxyphenyl)piperazin-2-one
CID 110420396
3-(4-fluorophenyl)-4-(5-thiophen-2-ylpentanoyl)piperazin-2-one
CID 110619051
4-(2,2-dimethylpropanoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428483
N-[4-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]phenyl]acetamide
CID 110669940
3-(4-fluorophenyl)-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one
CID 110425971
4-[3-(3-fluorophenyl)propanoyl]-3-phenylpiperazin-2-one
CID 110728490
4-(2-fluorobenzoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428490

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]butane-1,4-dione?
The IUPAC name of 1-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]butane-1,4-dione (CID 110426009) is 1-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]butane-1,4-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]butane-1,4-dione?
The canonical SMILES for 1-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]butane-1,4-dione is O=C(CCC(=O)N1CCNC(=O)C1c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]butane-1,4-dione?
The InChIKey is LRNZQJLHFNZNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O3/c21-15-5-1-13(2-6-15)17(25)9-10-18(26)24-12-11-23-20(27)19(24)14-3-7-16(22)8-4-14/h1-8,19H,9-12H2,(H,23,27).
What are the key properties of 1-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]butane-1,4-dione?
1-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]butane-1,4-dione has a molecular weight of 372.37 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]butane-1,4-dione is sourced from PubChem (CID 110426009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).