3-methyl-4-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]piperazin-2-one

C16H22N2O2 — CID 63607695

IUPAC3-methyl-4-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]piperazin-2-one
SMILESCc1cc(C)c(C(=O)CN2CCNC(=O)C2C)cc1C
InChIInChI=1S/C16H22N2O2/c1-10-7-12(3)14(8-11(10)2)15(19)9-18-6-5-17-16(20)13(18)4/h7-8,13H,5-6,9H2,1-4H3,(H,17,20)
InChIKeyDINIOQAMXWALLG-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.61
Rot. Bonds3

About 3-methyl-4-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]piperazin-2-one

3-methyl-4-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]piperazin-2-one (PubChem CID 63607695) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-methyl-4-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]piperazin-2-one
PubChem CID63607695
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-methyl-4-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]piperazin-2-one
SMILESCc1cc(C)c(C(=O)CN2CCNC(=O)C2C)cc1C
InChIInChI=1S/C16H22N2O2/c1-10-7-12(3)14(8-11(10)2)15(19)9-18-6-5-17-16(20)13(18)4/h7-8,13H,5-6,9H2,1-4H3,(H,17,20)
InChIKeyDINIOQAMXWALLG-UHFFFAOYSA-N
XLogP1.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]piperazin-2-one?
The IUPAC name of 3-methyl-4-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]piperazin-2-one (CID 63607695) is 3-methyl-4-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]piperazin-2-one.
What is the SMILES notation for 3-methyl-4-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]piperazin-2-one?
The canonical SMILES for 3-methyl-4-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]piperazin-2-one is Cc1cc(C)c(C(=O)CN2CCNC(=O)C2C)cc1C.
What is the InChIKey of 3-methyl-4-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]piperazin-2-one?
The InChIKey is DINIOQAMXWALLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10-7-12(3)14(8-11(10)2)15(19)9-18-6-5-17-16(20)13(18)4/h7-8,13H,5-6,9H2,1-4H3,(H,17,20).
What are the key properties of 3-methyl-4-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]piperazin-2-one?
3-methyl-4-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]piperazin-2-one has a molecular weight of 274.36 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]piperazin-2-one is sourced from PubChem (CID 63607695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).