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

C16H21FN2O3 — CID 110817306

IUPAC1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1
InChIInChI=1S/C16H21FN2O3/c1-2-3-15(20)18-8-10-19(11-9-18)16(21)12-22-14-6-4-13(17)5-7-14/h4-7H,2-3,8-12H2,1H3
InChIKeyASOMGCPQDBWMIL-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.68
Rot. Bonds5

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

1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one (PubChem CID 110817306) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is 1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one
PubChem CID110817306
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1
InChIInChI=1S/C16H21FN2O3/c1-2-3-15(20)18-8-10-19(11-9-18)16(21)12-22-14-6-4-13(17)5-7-14/h4-7H,2-3,8-12H2,1H3
InChIKeyASOMGCPQDBWMIL-UHFFFAOYSA-N
XLogP1.68
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
2-ethoxy-1-[4-[2-(4-fluorophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 135093803
1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110666265
4-amino-1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one;hydrochloride
CID 119291703
2-(4-fluorophenoxy)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone
CID 110932543
2-[4-(4-fluorobenzoyl)phenoxy]-1-piperazin-1-ylethanone
CID 167771023
1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 119727742
2-(4-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119559642
1-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]propan-1-one
CID 7494455
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 4822189
2-(4-ethoxyphenoxy)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 4820535
2-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9021981

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one?
The IUPAC name of 1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one (CID 110817306) is 1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one is CCCC(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one?
The InChIKey is ASOMGCPQDBWMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-2-3-15(20)18-8-10-19(11-9-18)16(21)12-22-14-6-4-13(17)5-7-14/h4-7H,2-3,8-12H2,1H3.
What are the key properties of 1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one?
1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one has a molecular weight of 308.35 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 110817306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).