4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazine-2,6-dione

C13H13FN2O4 — CID 66083020

IUPAC4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazine-2,6-dione
SMILESCOc1ccc(CC(=O)N2CC(=O)NC(=O)C2)cc1F
InChIInChI=1S/C13H13FN2O4/c1-20-10-3-2-8(4-9(10)14)5-13(19)16-6-11(17)15-12(18)7-16/h2-4H,5-7H2,1H3,(H,15,17,18)
InChIKeyLSAKFAPCISCRRU-UHFFFAOYSA-N
MW280.25 g/mol
LogP-0.14
Rot. Bonds3

About 4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazine-2,6-dione

4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazine-2,6-dione (PubChem CID 66083020) has the molecular formula C13H13FN2O4 and a molecular weight of 280.25 g/mol. Its IUPAC name is 4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazine-2,6-dione
PubChem CID66083020
Molecular FormulaC13H13FN2O4
Molecular Weight280.25 g/mol
Exact Mass280.09
IUPAC Name4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazine-2,6-dione
SMILESCOc1ccc(CC(=O)N2CC(=O)NC(=O)C2)cc1F
InChIInChI=1S/C13H13FN2O4/c1-20-10-3-2-8(4-9(10)14)5-13(19)16-6-11(17)15-12(18)7-16/h2-4H,5-7H2,1H3,(H,15,17,18)
InChIKeyLSAKFAPCISCRRU-UHFFFAOYSA-N
XLogP-0.14
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(azepan-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 60667511
4-[2-(3-fluoro-4-methoxyphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 17462364
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 110802400
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 119634986
1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 99612260
1-(4-benzylpiperazin-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 110766994
2-[1-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperidin-4-yl]acetic acid
CID 119178808
2-(3-fluoro-4-methoxyphenyl)-1-(3-methylpyrrolidin-3-yl)ethanone
CID 116569863
4-[3-(3-bromo-4-methoxyphenyl)propanoyl]piperazine-2,6-dione
CID 66084113
[2-(3,5-dioxo-1,4-diazaspiro[5.5]undecan-1-yl)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 9381751
2-(4-chlorophenyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 110399355
2-(3-fluoro-4-methoxyphenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 119538507

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazine-2,6-dione?
The IUPAC name of 4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazine-2,6-dione (CID 66083020) is 4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazine-2,6-dione?
The canonical SMILES for 4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazine-2,6-dione is COc1ccc(CC(=O)N2CC(=O)NC(=O)C2)cc1F.
What is the InChIKey of 4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazine-2,6-dione?
The InChIKey is LSAKFAPCISCRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O4/c1-20-10-3-2-8(4-9(10)14)5-13(19)16-6-11(17)15-12(18)7-16/h2-4H,5-7H2,1H3,(H,15,17,18).
What are the key properties of 4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazine-2,6-dione?
4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazine-2,6-dione has a molecular weight of 280.25 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazine-2,6-dione is sourced from PubChem (CID 66083020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).