1-benzyl-3-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-2-one

C19H19FN2O2 — CID 102002003

IUPAC1-benzyl-3-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-2-one
SMILESO=C(CC1NCCN(Cc2ccccc2)C1=O)c1ccccc1F
InChIInChI=1S/C19H19FN2O2/c20-16-9-5-4-8-15(16)18(23)12-17-19(24)22(11-10-21-17)13-14-6-2-1-3-7-14/h1-9,17,21H,10-13H2
InChIKeyXDFNUIZHUIVEMB-UHFFFAOYSA-N
MW326.37 g/mol
LogP2.40
Rot. Bonds5

About 1-benzyl-3-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-2-one

1-benzyl-3-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-2-one (PubChem CID 102002003) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 1-benzyl-3-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-2-one.

Molecular Properties

Compound Name1-benzyl-3-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-2-one
PubChem CID102002003
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name1-benzyl-3-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-2-one
SMILESO=C(CC1NCCN(Cc2ccccc2)C1=O)c1ccccc1F
InChIInChI=1S/C19H19FN2O2/c20-16-9-5-4-8-15(16)18(23)12-17-19(24)22(11-10-21-17)13-14-6-2-1-3-7-14/h1-9,17,21H,10-13H2
InChIKeyXDFNUIZHUIVEMB-UHFFFAOYSA-N
XLogP2.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-2-one?
The IUPAC name of 1-benzyl-3-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-2-one (CID 102002003) is 1-benzyl-3-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-2-one.
What is the SMILES notation for 1-benzyl-3-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-2-one?
The canonical SMILES for 1-benzyl-3-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-2-one is O=C(CC1NCCN(Cc2ccccc2)C1=O)c1ccccc1F.
What is the InChIKey of 1-benzyl-3-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-2-one?
The InChIKey is XDFNUIZHUIVEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c20-16-9-5-4-8-15(16)18(23)12-17-19(24)22(11-10-21-17)13-14-6-2-1-3-7-14/h1-9,17,21H,10-13H2.
What are the key properties of 1-benzyl-3-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-2-one?
1-benzyl-3-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-2-one has a molecular weight of 326.37 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-2-one is sourced from PubChem (CID 102002003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).