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

C16H22N2O2 — CID 24715884

IUPAC3-methyl-1-(2-methylphenyl)-4-(2-methylpropanoyl)piperazin-2-one
SMILESCc1ccccc1N1CCN(C(=O)C(C)C)C(C)C1=O
InChIInChI=1S/C16H22N2O2/c1-11(2)15(19)17-9-10-18(16(20)13(17)4)14-8-6-5-7-12(14)3/h5-8,11,13H,9-10H2,1-4H3
InChIKeyHWEQWSDFTWAADC-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.21
Rot. Bonds2

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

3-methyl-1-(2-methylphenyl)-4-(2-methylpropanoyl)piperazin-2-one (PubChem CID 24715884) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-methyl-1-(2-methylphenyl)-4-(2-methylpropanoyl)piperazin-2-one.

Molecular Properties

Compound Name3-methyl-1-(2-methylphenyl)-4-(2-methylpropanoyl)piperazin-2-one
PubChem CID24715884
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-methyl-1-(2-methylphenyl)-4-(2-methylpropanoyl)piperazin-2-one
SMILESCc1ccccc1N1CCN(C(=O)C(C)C)C(C)C1=O
InChIInChI=1S/C16H22N2O2/c1-11(2)15(19)17-9-10-18(16(20)13(17)4)14-8-6-5-7-12(14)3/h5-8,11,13H,9-10H2,1-4H3
InChIKeyHWEQWSDFTWAADC-UHFFFAOYSA-N
XLogP2.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylphenyl)-4-(2-methylpropanoyl)piperazin-2-one?
The IUPAC name of 3-methyl-1-(2-methylphenyl)-4-(2-methylpropanoyl)piperazin-2-one (CID 24715884) is 3-methyl-1-(2-methylphenyl)-4-(2-methylpropanoyl)piperazin-2-one.
What is the SMILES notation for 3-methyl-1-(2-methylphenyl)-4-(2-methylpropanoyl)piperazin-2-one?
The canonical SMILES for 3-methyl-1-(2-methylphenyl)-4-(2-methylpropanoyl)piperazin-2-one is Cc1ccccc1N1CCN(C(=O)C(C)C)C(C)C1=O.
What is the InChIKey of 3-methyl-1-(2-methylphenyl)-4-(2-methylpropanoyl)piperazin-2-one?
The InChIKey is HWEQWSDFTWAADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(2)15(19)17-9-10-18(16(20)13(17)4)14-8-6-5-7-12(14)3/h5-8,11,13H,9-10H2,1-4H3.
What are the key properties of 3-methyl-1-(2-methylphenyl)-4-(2-methylpropanoyl)piperazin-2-one?
3-methyl-1-(2-methylphenyl)-4-(2-methylpropanoyl)piperazin-2-one has a molecular weight of 274.36 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylphenyl)-4-(2-methylpropanoyl)piperazin-2-one is sourced from PubChem (CID 24715884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).