4-[2-(2-fluorophenoxy)acetyl]-3,3-dimethylpiperazin-2-one

C14H17FN2O3 — CID 63362347

IUPAC4-[2-(2-fluorophenoxy)acetyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)COc1ccccc1F
InChIInChI=1S/C14H17FN2O3/c1-14(2)13(19)16-7-8-17(14)12(18)9-20-11-6-4-3-5-10(11)15/h3-6H,7-9H2,1-2H3,(H,16,19)
InChIKeyQWMDHTNCNNEKLM-UHFFFAOYSA-N
MW280.30 g/mol
LogP0.94
Rot. Bonds3

About 4-[2-(2-fluorophenoxy)acetyl]-3,3-dimethylpiperazin-2-one

4-[2-(2-fluorophenoxy)acetyl]-3,3-dimethylpiperazin-2-one (PubChem CID 63362347) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 4-[2-(2-fluorophenoxy)acetyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(2-fluorophenoxy)acetyl]-3,3-dimethylpiperazin-2-one
PubChem CID63362347
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name4-[2-(2-fluorophenoxy)acetyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)COc1ccccc1F
InChIInChI=1S/C14H17FN2O3/c1-14(2)13(19)16-7-8-17(14)12(18)9-20-11-6-4-3-5-10(11)15/h3-6H,7-9H2,1-2H3,(H,16,19)
InChIKeyQWMDHTNCNNEKLM-UHFFFAOYSA-N
XLogP0.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-(2-fluorophenoxy)acetyl]-3,3-dimethylpiperazin-2-one 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

4-[2-(2-methoxyphenoxy)acetyl]-3,3-dimethylpiperazin-2-one
CID 63362344
4-[2-(2,4-dimethylphenoxy)acetyl]-3,3-dimethylpiperazin-2-one
CID 63362376
4-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethoxy]benzonitrile
CID 63362385
4-[2-(2-chloro-6-fluorophenyl)acetyl]-3,3-dimethylpiperazin-2-one
CID 63362537
4-(4-fluoro-3-methoxybenzoyl)-3,3-dimethylpiperazin-2-one
CID 81005031
4-[2-(2-methoxyethoxy)acetyl]-3,3-dimethylpiperazin-2-one
CID 63607388
3,3-dimethyl-4-[3-(2-methylphenyl)propanoyl]piperazin-2-one
CID 63605872
3-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-oxopropanoic acid
CID 63600580
3,3-dimethyl-4-(2-methylsulfanylacetyl)piperazin-2-one
CID 63606717
2-(2-fluorophenoxy)-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 115875253
4-[2-(4-hydroxyphenyl)acetyl]-3,3-dimethylpiperazin-2-one
CID 63608438
(Z)-3-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethoxy]-4,4,4-trifluorobut-2-enenitrile
CID 143240981

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluorophenoxy)acetyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[2-(2-fluorophenoxy)acetyl]-3,3-dimethylpiperazin-2-one (CID 63362347) is 4-[2-(2-fluorophenoxy)acetyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[2-(2-fluorophenoxy)acetyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[2-(2-fluorophenoxy)acetyl]-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1C(=O)COc1ccccc1F.
What is the InChIKey of 4-[2-(2-fluorophenoxy)acetyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is QWMDHTNCNNEKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-14(2)13(19)16-7-8-17(14)12(18)9-20-11-6-4-3-5-10(11)15/h3-6H,7-9H2,1-2H3,(H,16,19).
What are the key properties of 4-[2-(2-fluorophenoxy)acetyl]-3,3-dimethylpiperazin-2-one?
4-[2-(2-fluorophenoxy)acetyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 280.30 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluorophenoxy)acetyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63362347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).