4-[1-(2,4-difluorophenyl)-1-oxopropan-2-yl]-3,3-dimethylpiperazin-2-one

C15H18F2N2O2 — CID 63607510

IUPAC4-[1-(2,4-difluorophenyl)-1-oxopropan-2-yl]-3,3-dimethylpiperazin-2-one
SMILESCC(C(=O)c1ccc(F)cc1F)N1CCNC(=O)C1(C)C
InChIInChI=1S/C15H18F2N2O2/c1-9(19-7-6-18-14(21)15(19,2)3)13(20)11-5-4-10(16)8-12(11)17/h4-5,8-9H,6-7H2,1-3H3,(H,18,21)
InChIKeyIBOBHCKYASEUCY-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.75
Rot. Bonds3

About 4-[1-(2,4-difluorophenyl)-1-oxopropan-2-yl]-3,3-dimethylpiperazin-2-one

4-[1-(2,4-difluorophenyl)-1-oxopropan-2-yl]-3,3-dimethylpiperazin-2-one (PubChem CID 63607510) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is 4-[1-(2,4-difluorophenyl)-1-oxopropan-2-yl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[1-(2,4-difluorophenyl)-1-oxopropan-2-yl]-3,3-dimethylpiperazin-2-one
PubChem CID63607510
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name4-[1-(2,4-difluorophenyl)-1-oxopropan-2-yl]-3,3-dimethylpiperazin-2-one
SMILESCC(C(=O)c1ccc(F)cc1F)N1CCNC(=O)C1(C)C
InChIInChI=1S/C15H18F2N2O2/c1-9(19-7-6-18-14(21)15(19,2)3)13(20)11-5-4-10(16)8-12(11)17/h4-5,8-9H,6-7H2,1-3H3,(H,18,21)
InChIKeyIBOBHCKYASEUCY-UHFFFAOYSA-N
XLogP1.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-dimethyl-3-oxopiperazin-1-yl)propanoic acid
CID 3157129
1-(2,4-difluorophenyl)-2-piperazin-1-ylpropan-1-one
CID 62052304
4-[2-fluoro-4-(4-fluorophenyl)benzoyl]-3,3-dimethylpiperazin-2-one
CID 126797508
4-[2-amino-1-(4-fluorophenyl)propyl]-3,3-dimethylpiperazin-2-one
CID 63594889
4-(2-bromo-4-fluorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 63362378
1-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)propan-1-one
CID 43794426
4-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one
CID 78946531
1-(2,4-difluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 43797028
4-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one
CID 63606818
2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-phenylacetic acid
CID 63606639
4-[2-(1-aminoethyl)-4-fluorophenyl]-3,3-dimethylpiperazin-2-one
CID 55216696
2-[(2,2-dimethyl-3-oxopiperazin-1-yl)methyl]-4-fluorobenzenecarbothioamide
CID 64765611

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,4-difluorophenyl)-1-oxopropan-2-yl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[1-(2,4-difluorophenyl)-1-oxopropan-2-yl]-3,3-dimethylpiperazin-2-one (CID 63607510) is 4-[1-(2,4-difluorophenyl)-1-oxopropan-2-yl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[1-(2,4-difluorophenyl)-1-oxopropan-2-yl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[1-(2,4-difluorophenyl)-1-oxopropan-2-yl]-3,3-dimethylpiperazin-2-one is CC(C(=O)c1ccc(F)cc1F)N1CCNC(=O)C1(C)C.
What is the InChIKey of 4-[1-(2,4-difluorophenyl)-1-oxopropan-2-yl]-3,3-dimethylpiperazin-2-one?
The InChIKey is IBOBHCKYASEUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c1-9(19-7-6-18-14(21)15(19,2)3)13(20)11-5-4-10(16)8-12(11)17/h4-5,8-9H,6-7H2,1-3H3,(H,18,21).
What are the key properties of 4-[1-(2,4-difluorophenyl)-1-oxopropan-2-yl]-3,3-dimethylpiperazin-2-one?
4-[1-(2,4-difluorophenyl)-1-oxopropan-2-yl]-3,3-dimethylpiperazin-2-one has a molecular weight of 296.32 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,4-difluorophenyl)-1-oxopropan-2-yl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63607510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).