4-[2-(2-fluorophenoxy)acetyl]-1,3-dimethylpiperazin-2-one

C14H17FN2O3 — CID 110708288

IUPAC4-[2-(2-fluorophenoxy)acetyl]-1,3-dimethylpiperazin-2-one
SMILESCC1C(=O)N(C)CCN1C(=O)COc1ccccc1F
InChIInChI=1S/C14H17FN2O3/c1-10-14(19)16(2)7-8-17(10)13(18)9-20-12-6-4-3-5-11(12)15/h3-6,10H,7-9H2,1-2H3
InChIKeyYYADWELCBBITBK-UHFFFAOYSA-N
MW280.30 g/mol
LogP0.89
Rot. Bonds3

About 4-[2-(2-fluorophenoxy)acetyl]-1,3-dimethylpiperazin-2-one

4-[2-(2-fluorophenoxy)acetyl]-1,3-dimethylpiperazin-2-one (PubChem CID 110708288) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 4-[2-(2-fluorophenoxy)acetyl]-1,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(2-fluorophenoxy)acetyl]-1,3-dimethylpiperazin-2-one
PubChem CID110708288
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name4-[2-(2-fluorophenoxy)acetyl]-1,3-dimethylpiperazin-2-one
SMILESCC1C(=O)N(C)CCN1C(=O)COc1ccccc1F
InChIInChI=1S/C14H17FN2O3/c1-10-14(19)16(2)7-8-17(10)13(18)9-20-12-6-4-3-5-11(12)15/h3-6,10H,7-9H2,1-2H3
InChIKeyYYADWELCBBITBK-UHFFFAOYSA-N
XLogP0.89
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3-fluorophenoxy)acetyl]-1,3-dimethylpiperazin-2-one
CID 110708289
1-(2,5-dimethylmorpholin-4-yl)-2-(2-fluorophenoxy)ethanone
CID 110727665
1-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 124589814
(2R)-1-[2-(2-fluorophenoxy)acetyl]piperidine-2-carboxylic acid
CID 79034586
(3R,6R)-1-[2-(2-fluorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide
CID 94482779
1-[2-(aminomethyl)piperidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 119468063
2-(2-fluorophenoxy)-1-(2-phenyl-1,3-oxazolidin-3-yl)ethanone
CID 110740351
2-(2-fluorophenoxy)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116636221
1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 86951335
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2-fluorophenoxy)ethanone;hydrochloride
CID 119436216
1-(4-cyclopropylpiperazin-1-yl)-2-(2-fluorophenoxy)ethanone
CID 110708570
2-(2-fluorophenoxy)-1-[3-(2-methylpiperidine-1-carbonyl)azetidin-1-yl]ethanone
CID 90512384

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluorophenoxy)acetyl]-1,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[2-(2-fluorophenoxy)acetyl]-1,3-dimethylpiperazin-2-one (CID 110708288) is 4-[2-(2-fluorophenoxy)acetyl]-1,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[2-(2-fluorophenoxy)acetyl]-1,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[2-(2-fluorophenoxy)acetyl]-1,3-dimethylpiperazin-2-one is CC1C(=O)N(C)CCN1C(=O)COc1ccccc1F.
What is the InChIKey of 4-[2-(2-fluorophenoxy)acetyl]-1,3-dimethylpiperazin-2-one?
The InChIKey is YYADWELCBBITBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-10-14(19)16(2)7-8-17(10)13(18)9-20-12-6-4-3-5-11(12)15/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 4-[2-(2-fluorophenoxy)acetyl]-1,3-dimethylpiperazin-2-one?
4-[2-(2-fluorophenoxy)acetyl]-1,3-dimethylpiperazin-2-one has a molecular weight of 280.30 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluorophenoxy)acetyl]-1,3-dimethylpiperazin-2-one is sourced from PubChem (CID 110708288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).