2-[5-(4-acetylpiperazin-1-yl)-2-fluorophenyl]acetic acid

C14H17FN2O3 — CID 142405531

IUPAC2-[5-(4-acetylpiperazin-1-yl)-2-fluorophenyl]acetic acid
SMILESCC(=O)N1CCN(c2ccc(F)c(CC(=O)O)c2)CC1
InChIInChI=1S/C14H17FN2O3/c1-10(18)16-4-6-17(7-5-16)12-2-3-13(15)11(8-12)9-14(19)20/h2-3,8H,4-7,9H2,1H3,(H,19,20)
InChIKeyCKNWALHJHXKAHL-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.12
Rot. Bonds3

About 2-[5-(4-acetylpiperazin-1-yl)-2-fluorophenyl]acetic acid

2-[5-(4-acetylpiperazin-1-yl)-2-fluorophenyl]acetic acid (PubChem CID 142405531) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-[5-(4-acetylpiperazin-1-yl)-2-fluorophenyl]acetic acid.

Molecular Properties

Compound Name2-[5-(4-acetylpiperazin-1-yl)-2-fluorophenyl]acetic acid
PubChem CID142405531
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name2-[5-(4-acetylpiperazin-1-yl)-2-fluorophenyl]acetic acid
SMILESCC(=O)N1CCN(c2ccc(F)c(CC(=O)O)c2)CC1
InChIInChI=1S/C14H17FN2O3/c1-10(18)16-4-6-17(7-5-16)12-2-3-13(15)11(8-12)9-14(19)20/h2-3,8H,4-7,9H2,1H3,(H,19,20)
InChIKeyCKNWALHJHXKAHL-UHFFFAOYSA-N
XLogP1.12
TPSA60.85 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 ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-acetylpiperazin-1-yl)phenyl]acetic acid
CID 135263317
1-[4-(3-fluoro-4-nitrophenyl)piperazin-1-yl]ethanone
CID 21278913
1-[4-[3-fluoro-4-(1-methylcyclopropyl)phenyl]piperazin-1-yl]ethanone
CID 155587428
1-[4-[3-chloro-4-(hydroxymethyl)phenyl]piperazin-1-yl]ethanone
CID 54014888
1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508298
1-[4-(3,4-diaminophenyl)piperazin-1-yl]ethanone
CID 14911026
2-[5-(4-acetylpiperazin-1-yl)-2-fluorophenyl]-N-[[2-(azepan-1-yl)-4-methoxyphenyl]-phenylmethyl]acetamide
CID 135263402
1-[4-[4-(2-phenylethyl)-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 175267293
1-[4-(3-chloro-4-hydroxyphenyl)piperazin-1-yl]ethanone
CID 142506397
1-[4-[4-(hydroxymethyl)-3-methylphenyl]-1,4-diazepan-1-yl]ethanone
CID 62135554
[4-(3,4-difluorophenyl)piperazin-1-yl]-phenylmethanone
CID 113081342
3-[4-(3,4-difluorophenyl)piperazin-1-yl]propanoic acid
CID 82488130

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-acetylpiperazin-1-yl)-2-fluorophenyl]acetic acid?
The IUPAC name of 2-[5-(4-acetylpiperazin-1-yl)-2-fluorophenyl]acetic acid (CID 142405531) is 2-[5-(4-acetylpiperazin-1-yl)-2-fluorophenyl]acetic acid.
What is the SMILES notation for 2-[5-(4-acetylpiperazin-1-yl)-2-fluorophenyl]acetic acid?
The canonical SMILES for 2-[5-(4-acetylpiperazin-1-yl)-2-fluorophenyl]acetic acid is CC(=O)N1CCN(c2ccc(F)c(CC(=O)O)c2)CC1.
What is the InChIKey of 2-[5-(4-acetylpiperazin-1-yl)-2-fluorophenyl]acetic acid?
The InChIKey is CKNWALHJHXKAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-10(18)16-4-6-17(7-5-16)12-2-3-13(15)11(8-12)9-14(19)20/h2-3,8H,4-7,9H2,1H3,(H,19,20).
What are the key properties of 2-[5-(4-acetylpiperazin-1-yl)-2-fluorophenyl]acetic acid?
2-[5-(4-acetylpiperazin-1-yl)-2-fluorophenyl]acetic acid has a molecular weight of 280.30 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-acetylpiperazin-1-yl)-2-fluorophenyl]acetic acid is sourced from PubChem (CID 142405531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).