3-methyl-4-(2,4,6-trimethylbenzoyl)piperazin-2-one

C15H20N2O2 — CID 63605892

IUPAC3-methyl-4-(2,4,6-trimethylbenzoyl)piperazin-2-one
SMILESCc1cc(C)c(C(=O)N2CCNC(=O)C2C)c(C)c1
InChIInChI=1S/C15H20N2O2/c1-9-7-10(2)13(11(3)8-9)15(19)17-6-5-16-14(18)12(17)4/h7-8,12H,5-6H2,1-4H3,(H,16,18)
InChIKeyTYBDKDZYDSXYSA-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.57
Rot. Bonds1

About 3-methyl-4-(2,4,6-trimethylbenzoyl)piperazin-2-one

3-methyl-4-(2,4,6-trimethylbenzoyl)piperazin-2-one (PubChem CID 63605892) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-methyl-4-(2,4,6-trimethylbenzoyl)piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-(2,4,6-trimethylbenzoyl)piperazin-2-one
PubChem CID63605892
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-methyl-4-(2,4,6-trimethylbenzoyl)piperazin-2-one
SMILESCc1cc(C)c(C(=O)N2CCNC(=O)C2C)c(C)c1
InChIInChI=1S/C15H20N2O2/c1-9-7-10(2)13(11(3)8-9)15(19)17-6-5-16-14(18)12(17)4/h7-8,12H,5-6H2,1-4H3,(H,16,18)
InChIKeyTYBDKDZYDSXYSA-UHFFFAOYSA-N
XLogP1.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2,4,6-trimethylbenzoyl)piperazin-2-one?
The IUPAC name of 3-methyl-4-(2,4,6-trimethylbenzoyl)piperazin-2-one (CID 63605892) is 3-methyl-4-(2,4,6-trimethylbenzoyl)piperazin-2-one.
What is the SMILES notation for 3-methyl-4-(2,4,6-trimethylbenzoyl)piperazin-2-one?
The canonical SMILES for 3-methyl-4-(2,4,6-trimethylbenzoyl)piperazin-2-one is Cc1cc(C)c(C(=O)N2CCNC(=O)C2C)c(C)c1.
What is the InChIKey of 3-methyl-4-(2,4,6-trimethylbenzoyl)piperazin-2-one?
The InChIKey is TYBDKDZYDSXYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-9-7-10(2)13(11(3)8-9)15(19)17-6-5-16-14(18)12(17)4/h7-8,12H,5-6H2,1-4H3,(H,16,18).
What are the key properties of 3-methyl-4-(2,4,6-trimethylbenzoyl)piperazin-2-one?
3-methyl-4-(2,4,6-trimethylbenzoyl)piperazin-2-one has a molecular weight of 260.34 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2,4,6-trimethylbenzoyl)piperazin-2-one is sourced from PubChem (CID 63605892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).