1-acetyl-3-[2-(4-fluorophenyl)-2-oxoethylidene]piperazine-2,5-dione

C14H11FN2O4 — CID 175526373

IUPAC1-acetyl-3-[2-(4-fluorophenyl)-2-oxoethylidene]piperazine-2,5-dione
SMILESCC(=O)N1CC(=O)NC(=CC(=O)c2ccc(F)cc2)C1=O
InChIInChI=1S/C14H11FN2O4/c1-8(18)17-7-13(20)16-11(14(17)21)6-12(19)9-2-4-10(15)5-3-9/h2-6H,7H2,1H3,(H,16,20)
InChIKeyWZDNHYVHPKDKJJ-UHFFFAOYSA-N
MW290.25 g/mol
LogP0.40
Rot. Bonds2

About 1-acetyl-3-[2-(4-fluorophenyl)-2-oxoethylidene]piperazine-2,5-dione

1-acetyl-3-[2-(4-fluorophenyl)-2-oxoethylidene]piperazine-2,5-dione (PubChem CID 175526373) has the molecular formula C14H11FN2O4 and a molecular weight of 290.25 g/mol. Its IUPAC name is 1-acetyl-3-[2-(4-fluorophenyl)-2-oxoethylidene]piperazine-2,5-dione.

Molecular Properties

Compound Name1-acetyl-3-[2-(4-fluorophenyl)-2-oxoethylidene]piperazine-2,5-dione
PubChem CID175526373
Molecular FormulaC14H11FN2O4
Molecular Weight290.25 g/mol
Exact Mass290.07
IUPAC Name1-acetyl-3-[2-(4-fluorophenyl)-2-oxoethylidene]piperazine-2,5-dione
SMILESCC(=O)N1CC(=O)NC(=CC(=O)c2ccc(F)cc2)C1=O
InChIInChI=1S/C14H11FN2O4/c1-8(18)17-7-13(20)16-11(14(17)21)6-12(19)9-2-4-10(15)5-3-9/h2-6H,7H2,1H3,(H,16,20)
InChIKeyWZDNHYVHPKDKJJ-UHFFFAOYSA-N
XLogP0.40
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3Z)-1-acetyl-3-[[4-[(Z)-(4-acetyl-3,6-dioxopiperazin-2-ylidene)methyl]phenyl]methylidene]piperazine-2,5-dione
CID 14194855
1-acetyl-3-[(2,6-dichlorophenyl)methylidene]piperazine-2,5-dione
CID 54072145
(3E)-1-acetyl-3-[(2,6-dichlorophenyl)methylidene]piperazine-2,5-dione
CID 67627241
(3E)-1-acetyl-3-(3-methylbutylidene)piperazine-2,5-dione
CID 177495079
1-acetyl-3-[(4-phenyl-1H-imidazol-5-yl)methylidene]piperazine-2,5-dione
CID 175526366
3-[2-(4-fluorophenyl)-2-oxoethylidene]piperazin-2-one
CID 2875892
(3E)-1-acetyl-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione
CID 22055224
1-acetyl-3-[(5-phenyl-1,3-oxazol-4-yl)methylidene]piperazine-2,5-dione
CID 175526384
(3Z)-1-acetyl-3-[[4-[3-(dimethylamino)propoxy]phenyl]methylidene]piperazine-2,5-dione
CID 21308867
(3Z)-1-acetyl-3-[(5-tert-butyl-1,3-thiazol-4-yl)-deuteriomethylidene]piperazine-2,5-dione
CID 140873576
1-acetyl-3-[(2-benzyl-1-chloro-5-propan-2-ylimidazol-4-yl)methylidene]piperazine-2,5-dione
CID 175511858
1-acetyl-2-iminoimidazolidin-4-one
CID 138059545

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3-[2-(4-fluorophenyl)-2-oxoethylidene]piperazine-2,5-dione?
The IUPAC name of 1-acetyl-3-[2-(4-fluorophenyl)-2-oxoethylidene]piperazine-2,5-dione (CID 175526373) is 1-acetyl-3-[2-(4-fluorophenyl)-2-oxoethylidene]piperazine-2,5-dione.
What is the SMILES notation for 1-acetyl-3-[2-(4-fluorophenyl)-2-oxoethylidene]piperazine-2,5-dione?
The canonical SMILES for 1-acetyl-3-[2-(4-fluorophenyl)-2-oxoethylidene]piperazine-2,5-dione is CC(=O)N1CC(=O)NC(=CC(=O)c2ccc(F)cc2)C1=O.
What is the InChIKey of 1-acetyl-3-[2-(4-fluorophenyl)-2-oxoethylidene]piperazine-2,5-dione?
The InChIKey is WZDNHYVHPKDKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O4/c1-8(18)17-7-13(20)16-11(14(17)21)6-12(19)9-2-4-10(15)5-3-9/h2-6H,7H2,1H3,(H,16,20).
What are the key properties of 1-acetyl-3-[2-(4-fluorophenyl)-2-oxoethylidene]piperazine-2,5-dione?
1-acetyl-3-[2-(4-fluorophenyl)-2-oxoethylidene]piperazine-2,5-dione has a molecular weight of 290.25 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3-[2-(4-fluorophenyl)-2-oxoethylidene]piperazine-2,5-dione is sourced from PubChem (CID 175526373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).