3-(2-fluorophenyl)-4-(2-oxopropyl)piperazin-2-one

C13H15FN2O2 — CID 146108844

IUPAC3-(2-fluorophenyl)-4-(2-oxopropyl)piperazin-2-one
SMILESCC(=O)CN1CCNC(=O)C1c1ccccc1F
InChIInChI=1S/C13H15FN2O2/c1-9(17)8-16-7-6-15-13(18)12(16)10-4-2-3-5-11(10)14/h2-5,12H,6-8H2,1H3,(H,15,18)
InChIKeyAHSBJLGAZCEBCV-UHFFFAOYSA-N
MW250.27 g/mol
LogP0.89
Rot. Bonds3

About 3-(2-fluorophenyl)-4-(2-oxopropyl)piperazin-2-one

3-(2-fluorophenyl)-4-(2-oxopropyl)piperazin-2-one (PubChem CID 146108844) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-4-(2-oxopropyl)piperazin-2-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-4-(2-oxopropyl)piperazin-2-one
PubChem CID146108844
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name3-(2-fluorophenyl)-4-(2-oxopropyl)piperazin-2-one
SMILESCC(=O)CN1CCNC(=O)C1c1ccccc1F
InChIInChI=1S/C13H15FN2O2/c1-9(17)8-16-7-6-15-13(18)12(16)10-4-2-3-5-11(10)14/h2-5,12H,6-8H2,1H3,(H,15,18)
InChIKeyAHSBJLGAZCEBCV-UHFFFAOYSA-N
XLogP0.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-4-(2-oxopropyl)piperazin-2-one?
The IUPAC name of 3-(2-fluorophenyl)-4-(2-oxopropyl)piperazin-2-one (CID 146108844) is 3-(2-fluorophenyl)-4-(2-oxopropyl)piperazin-2-one.
What is the SMILES notation for 3-(2-fluorophenyl)-4-(2-oxopropyl)piperazin-2-one?
The canonical SMILES for 3-(2-fluorophenyl)-4-(2-oxopropyl)piperazin-2-one is CC(=O)CN1CCNC(=O)C1c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-4-(2-oxopropyl)piperazin-2-one?
The InChIKey is AHSBJLGAZCEBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-9(17)8-16-7-6-15-13(18)12(16)10-4-2-3-5-11(10)14/h2-5,12H,6-8H2,1H3,(H,15,18).
What are the key properties of 3-(2-fluorophenyl)-4-(2-oxopropyl)piperazin-2-one?
3-(2-fluorophenyl)-4-(2-oxopropyl)piperazin-2-one has a molecular weight of 250.27 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-4-(2-oxopropyl)piperazin-2-one is sourced from PubChem (CID 146108844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).