1-(3-fluoro-4-methylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one

C16H21FN2O2 — CID 24715980

IUPAC1-(3-fluoro-4-methylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one
SMILESCc1ccc(N2CCN(C(=O)C(C)C)C(C)C2=O)cc1F
InChIInChI=1S/C16H21FN2O2/c1-10(2)15(20)18-7-8-19(16(21)12(18)4)13-6-5-11(3)14(17)9-13/h5-6,9-10,12H,7-8H2,1-4H3
InChIKeyLRTWAXJQVGYZFY-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.35
Rot. Bonds2

About 1-(3-fluoro-4-methylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one

1-(3-fluoro-4-methylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one (PubChem CID 24715980) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one
PubChem CID24715980
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name1-(3-fluoro-4-methylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one
SMILESCc1ccc(N2CCN(C(=O)C(C)C)C(C)C2=O)cc1F
InChIInChI=1S/C16H21FN2O2/c1-10(2)15(20)18-7-8-19(16(21)12(18)4)13-6-5-11(3)14(17)9-13/h5-6,9-10,12H,7-8H2,1-4H3
InChIKeyLRTWAXJQVGYZFY-UHFFFAOYSA-N
XLogP2.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one (CID 24715980) is 1-(3-fluoro-4-methylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one is Cc1ccc(N2CCN(C(=O)C(C)C)C(C)C2=O)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one?
The InChIKey is LRTWAXJQVGYZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-10(2)15(20)18-7-8-19(16(21)12(18)4)13-6-5-11(3)14(17)9-13/h5-6,9-10,12H,7-8H2,1-4H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one?
1-(3-fluoro-4-methylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one has a molecular weight of 292.35 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one is sourced from PubChem (CID 24715980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).