4-[2-fluoro-4-(4-fluorophenyl)benzoyl]-3,3-dimethylpiperazin-2-one

C19H18F2N2O2 — CID 126797508

IUPAC4-[2-fluoro-4-(4-fluorophenyl)benzoyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)c1ccc(-c2ccc(F)cc2)cc1F
InChIInChI=1S/C19H18F2N2O2/c1-19(2)18(25)22-9-10-23(19)17(24)15-8-5-13(11-16(15)21)12-3-6-14(20)7-4-12/h3-8,11H,9-10H2,1-2H3,(H,22,25)
InChIKeyTZEBPMFZWVJINB-UHFFFAOYSA-N
MW344.36 g/mol
LogP2.98
Rot. Bonds2

About 4-[2-fluoro-4-(4-fluorophenyl)benzoyl]-3,3-dimethylpiperazin-2-one

4-[2-fluoro-4-(4-fluorophenyl)benzoyl]-3,3-dimethylpiperazin-2-one (PubChem CID 126797508) has the molecular formula C19H18F2N2O2 and a molecular weight of 344.36 g/mol. Its IUPAC name is 4-[2-fluoro-4-(4-fluorophenyl)benzoyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-fluoro-4-(4-fluorophenyl)benzoyl]-3,3-dimethylpiperazin-2-one
PubChem CID126797508
Molecular FormulaC19H18F2N2O2
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name4-[2-fluoro-4-(4-fluorophenyl)benzoyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)c1ccc(-c2ccc(F)cc2)cc1F
InChIInChI=1S/C19H18F2N2O2/c1-19(2)18(25)22-9-10-23(19)17(24)15-8-5-13(11-16(15)21)12-3-6-14(20)7-4-12/h3-8,11H,9-10H2,1-2H3,(H,22,25)
InChIKeyTZEBPMFZWVJINB-UHFFFAOYSA-N
XLogP2.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-bromo-4-fluorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 63362378
4-(3,4-difluorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 63362058
4-(2,4-dimethylbenzoyl)-3,3-dimethylpiperazin-2-one
CID 63362304
3,3-dimethyl-4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperazin-2-one
CID 103717953
4-[2-(3,4-difluorophenyl)-1,3-thiazole-4-carbonyl]-3,3-dimethylpiperazin-2-one
CID 124614836
4-(2-chlorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 63362538
4-[1-(2,4-difluorophenyl)-1-oxopropan-2-yl]-3,3-dimethylpiperazin-2-one
CID 63607510
3,3-dimethyl-4-[2-(trifluoromethyl)benzoyl]piperazin-2-one
CID 63607589
4-(4-fluoro-3-methoxybenzoyl)-3,3-dimethylpiperazin-2-one
CID 81005031
4-(2-methoxy-5-methylbenzoyl)-3,3-dimethylpiperazin-2-one
CID 63608428
4-(4-fluoro-3-nitrobenzoyl)-3,3-dimethylpiperazin-2-one
CID 63606868
4-(2,3-dichlorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 63361938

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-4-(4-fluorophenyl)benzoyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[2-fluoro-4-(4-fluorophenyl)benzoyl]-3,3-dimethylpiperazin-2-one (CID 126797508) is 4-[2-fluoro-4-(4-fluorophenyl)benzoyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[2-fluoro-4-(4-fluorophenyl)benzoyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[2-fluoro-4-(4-fluorophenyl)benzoyl]-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1C(=O)c1ccc(-c2ccc(F)cc2)cc1F.
What is the InChIKey of 4-[2-fluoro-4-(4-fluorophenyl)benzoyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is TZEBPMFZWVJINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O2/c1-19(2)18(25)22-9-10-23(19)17(24)15-8-5-13(11-16(15)21)12-3-6-14(20)7-4-12/h3-8,11H,9-10H2,1-2H3,(H,22,25).
What are the key properties of 4-[2-fluoro-4-(4-fluorophenyl)benzoyl]-3,3-dimethylpiperazin-2-one?
4-[2-fluoro-4-(4-fluorophenyl)benzoyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 344.36 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-4-(4-fluorophenyl)benzoyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 126797508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).