4-[2-(4-fluorophenoxy)acetyl]-1-(4-methylphenyl)piperazin-2-one

C19H19FN2O3 — CID 70780139

IUPAC4-[2-(4-fluorophenoxy)acetyl]-1-(4-methylphenyl)piperazin-2-one
SMILESCc1ccc(N2CCN(C(=O)COc3ccc(F)cc3)CC2=O)cc1
InChIInChI=1S/C19H19FN2O3/c1-14-2-6-16(7-3-14)22-11-10-21(12-18(22)23)19(24)13-25-17-8-4-15(20)5-9-17/h2-9H,10-13H2,1H3
InChIKeyNLNHRDXQBAJYOD-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.39
Rot. Bonds4

About 4-[2-(4-fluorophenoxy)acetyl]-1-(4-methylphenyl)piperazin-2-one

4-[2-(4-fluorophenoxy)acetyl]-1-(4-methylphenyl)piperazin-2-one (PubChem CID 70780139) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 4-[2-(4-fluorophenoxy)acetyl]-1-(4-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[2-(4-fluorophenoxy)acetyl]-1-(4-methylphenyl)piperazin-2-one
PubChem CID70780139
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name4-[2-(4-fluorophenoxy)acetyl]-1-(4-methylphenyl)piperazin-2-one
SMILESCc1ccc(N2CCN(C(=O)COc3ccc(F)cc3)CC2=O)cc1
InChIInChI=1S/C19H19FN2O3/c1-14-2-6-16(7-3-14)22-11-10-21(12-18(22)23)19(24)13-25-17-8-4-15(20)5-9-17/h2-9H,10-13H2,1H3
InChIKeyNLNHRDXQBAJYOD-UHFFFAOYSA-N
XLogP2.39
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-chlorophenoxy)acetyl]-1-phenylpiperazin-2-one
CID 70710000
4-[2-(4-methylphenoxy)acetyl]-1-propan-2-ylpiperazin-2-one
CID 110709007
1-(4-fluorophenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 110358975
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536873
4-[2-(4-fluorophenoxy)acetyl]piperazin-2-one
CID 31095507
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
1-(4-methylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one
CID 70741232
1-[4-[2-(4-methylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796458
1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one
CID 110817306
2,2,2-trifluoro-1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108533453
1-(4-methylphenyl)-4-(2-pyrazin-2-ylacetyl)piperazin-2-one
CID 70743066
4-[1-(2-ethoxyacetyl)piperidine-4-carbonyl]-1-(4-methylphenyl)piperazin-2-one
CID 70765317

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenoxy)acetyl]-1-(4-methylphenyl)piperazin-2-one?
The IUPAC name of 4-[2-(4-fluorophenoxy)acetyl]-1-(4-methylphenyl)piperazin-2-one (CID 70780139) is 4-[2-(4-fluorophenoxy)acetyl]-1-(4-methylphenyl)piperazin-2-one.
What is the SMILES notation for 4-[2-(4-fluorophenoxy)acetyl]-1-(4-methylphenyl)piperazin-2-one?
The canonical SMILES for 4-[2-(4-fluorophenoxy)acetyl]-1-(4-methylphenyl)piperazin-2-one is Cc1ccc(N2CCN(C(=O)COc3ccc(F)cc3)CC2=O)cc1.
What is the InChIKey of 4-[2-(4-fluorophenoxy)acetyl]-1-(4-methylphenyl)piperazin-2-one?
The InChIKey is NLNHRDXQBAJYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-14-2-6-16(7-3-14)22-11-10-21(12-18(22)23)19(24)13-25-17-8-4-15(20)5-9-17/h2-9H,10-13H2,1H3.
What are the key properties of 4-[2-(4-fluorophenoxy)acetyl]-1-(4-methylphenyl)piperazin-2-one?
4-[2-(4-fluorophenoxy)acetyl]-1-(4-methylphenyl)piperazin-2-one has a molecular weight of 342.37 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenoxy)acetyl]-1-(4-methylphenyl)piperazin-2-one is sourced from PubChem (CID 70780139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).