4-[4-(4-acetylpiperazin-1-yl)-3-fluorophenyl]piperidine-2,6-dione

C17H20FN3O3 — CID 167463235

IUPAC4-[4-(4-acetylpiperazin-1-yl)-3-fluorophenyl]piperidine-2,6-dione
SMILESCC(=O)N1CCN(c2ccc(C3CC(=O)NC(=O)C3)cc2F)CC1
InChIInChI=1S/C17H20FN3O3/c1-11(22)20-4-6-21(7-5-20)15-3-2-12(8-14(15)18)13-9-16(23)19-17(24)10-13/h2-3,8,13H,4-7,9-10H2,1H3,(H,19,23,24)
InChIKeyRUAJQBFTDOLMED-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.01
Rot. Bonds2

About 4-[4-(4-acetylpiperazin-1-yl)-3-fluorophenyl]piperidine-2,6-dione

4-[4-(4-acetylpiperazin-1-yl)-3-fluorophenyl]piperidine-2,6-dione (PubChem CID 167463235) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 4-[4-(4-acetylpiperazin-1-yl)-3-fluorophenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name4-[4-(4-acetylpiperazin-1-yl)-3-fluorophenyl]piperidine-2,6-dione
PubChem CID167463235
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name4-[4-(4-acetylpiperazin-1-yl)-3-fluorophenyl]piperidine-2,6-dione
SMILESCC(=O)N1CCN(c2ccc(C3CC(=O)NC(=O)C3)cc2F)CC1
InChIInChI=1S/C17H20FN3O3/c1-11(22)20-4-6-21(7-5-20)15-3-2-12(8-14(15)18)13-9-16(23)19-17(24)10-13/h2-3,8,13H,4-7,9-10H2,1H3,(H,19,23,24)
InChIKeyRUAJQBFTDOLMED-UHFFFAOYSA-N
XLogP1.01
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]piperidine-2,6-dione
CID 167463319
4-[3-fluoro-4-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]phenyl]piperidine-2,6-dione
CID 168873339
1-[4-(2-fluoro-4-hydroxyphenyl)piperazin-1-yl]ethanone
CID 71307673
2-(4-acetylpiperazin-1-yl)-5-fluorobenzaldehyde
CID 43312919
4-(2-fluoro-4-methylsulfinylphenyl)piperazine-1-carboxylic acid
CID 139465495
tert-butyl 4-[4-(1,3-dioxolan-2-yl)-2-fluorophenyl]piperazine-1-carboxylate
CID 162443568
1-[4-[4-(aminomethyl)-2-fluorophenyl]-1,4-diazepan-1-yl]ethanone
CID 55004144
4-(2,6-dioxopiperidin-4-yl)-2-piperidin-1-ylbenzamide
CID 69277245
1-[3-fluoro-4-[4-[2-(4-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]phenyl]ethanone
CID 51292338
7-(4-acetylpiperazin-1-yl)-6-fluoro-1H-quinolin-4-one
CID 71337771
4-(3,5-dioxopiperazin-1-yl)-3-fluorobenzoic acid
CID 66083166
1-[4-(3-amino-4-fluoro-2-methylphenyl)piperazin-1-yl]ethanone
CID 162439771

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-acetylpiperazin-1-yl)-3-fluorophenyl]piperidine-2,6-dione?
The IUPAC name of 4-[4-(4-acetylpiperazin-1-yl)-3-fluorophenyl]piperidine-2,6-dione (CID 167463235) is 4-[4-(4-acetylpiperazin-1-yl)-3-fluorophenyl]piperidine-2,6-dione.
What is the SMILES notation for 4-[4-(4-acetylpiperazin-1-yl)-3-fluorophenyl]piperidine-2,6-dione?
The canonical SMILES for 4-[4-(4-acetylpiperazin-1-yl)-3-fluorophenyl]piperidine-2,6-dione is CC(=O)N1CCN(c2ccc(C3CC(=O)NC(=O)C3)cc2F)CC1.
What is the InChIKey of 4-[4-(4-acetylpiperazin-1-yl)-3-fluorophenyl]piperidine-2,6-dione?
The InChIKey is RUAJQBFTDOLMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-11(22)20-4-6-21(7-5-20)15-3-2-12(8-14(15)18)13-9-16(23)19-17(24)10-13/h2-3,8,13H,4-7,9-10H2,1H3,(H,19,23,24).
What are the key properties of 4-[4-(4-acetylpiperazin-1-yl)-3-fluorophenyl]piperidine-2,6-dione?
4-[4-(4-acetylpiperazin-1-yl)-3-fluorophenyl]piperidine-2,6-dione has a molecular weight of 333.36 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-acetylpiperazin-1-yl)-3-fluorophenyl]piperidine-2,6-dione is sourced from PubChem (CID 167463235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).