4-[2-(2,6-difluorophenyl)acetyl]-1-(2-methylphenyl)piperazin-2-one

C19H18F2N2O2 — CID 70746172

IUPAC4-[2-(2,6-difluorophenyl)acetyl]-1-(2-methylphenyl)piperazin-2-one
SMILESCc1ccccc1N1CCN(C(=O)Cc2c(F)cccc2F)CC1=O
InChIInChI=1S/C19H18F2N2O2/c1-13-5-2-3-8-17(13)23-10-9-22(12-19(23)25)18(24)11-14-15(20)6-4-7-16(14)21/h2-8H,9-12H2,1H3
InChIKeyDSDSALKADIXBKU-UHFFFAOYSA-N
MW344.36 g/mol
LogP2.69
Rot. Bonds3

About 4-[2-(2,6-difluorophenyl)acetyl]-1-(2-methylphenyl)piperazin-2-one

4-[2-(2,6-difluorophenyl)acetyl]-1-(2-methylphenyl)piperazin-2-one (PubChem CID 70746172) has the molecular formula C19H18F2N2O2 and a molecular weight of 344.36 g/mol. Its IUPAC name is 4-[2-(2,6-difluorophenyl)acetyl]-1-(2-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[2-(2,6-difluorophenyl)acetyl]-1-(2-methylphenyl)piperazin-2-one
PubChem CID70746172
Molecular FormulaC19H18F2N2O2
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name4-[2-(2,6-difluorophenyl)acetyl]-1-(2-methylphenyl)piperazin-2-one
SMILESCc1ccccc1N1CCN(C(=O)Cc2c(F)cccc2F)CC1=O
InChIInChI=1S/C19H18F2N2O2/c1-13-5-2-3-8-17(13)23-10-9-22(12-19(23)25)18(24)11-14-15(20)6-4-7-16(14)21/h2-8H,9-12H2,1H3
InChIKeyDSDSALKADIXBKU-UHFFFAOYSA-N
XLogP2.69
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-difluorophenyl)acetyl]-1-(2-methylphenyl)piperazin-2-one?
The IUPAC name of 4-[2-(2,6-difluorophenyl)acetyl]-1-(2-methylphenyl)piperazin-2-one (CID 70746172) is 4-[2-(2,6-difluorophenyl)acetyl]-1-(2-methylphenyl)piperazin-2-one.
What is the SMILES notation for 4-[2-(2,6-difluorophenyl)acetyl]-1-(2-methylphenyl)piperazin-2-one?
The canonical SMILES for 4-[2-(2,6-difluorophenyl)acetyl]-1-(2-methylphenyl)piperazin-2-one is Cc1ccccc1N1CCN(C(=O)Cc2c(F)cccc2F)CC1=O.
What is the InChIKey of 4-[2-(2,6-difluorophenyl)acetyl]-1-(2-methylphenyl)piperazin-2-one?
The InChIKey is DSDSALKADIXBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O2/c1-13-5-2-3-8-17(13)23-10-9-22(12-19(23)25)18(24)11-14-15(20)6-4-7-16(14)21/h2-8H,9-12H2,1H3.
What are the key properties of 4-[2-(2,6-difluorophenyl)acetyl]-1-(2-methylphenyl)piperazin-2-one?
4-[2-(2,6-difluorophenyl)acetyl]-1-(2-methylphenyl)piperazin-2-one has a molecular weight of 344.36 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-difluorophenyl)acetyl]-1-(2-methylphenyl)piperazin-2-one is sourced from PubChem (CID 70746172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).