3,3-dimethyl-1-(4-methylphenyl)piperazine-2,5-dione

C13H16N2O2 — CID 64959294

IUPAC3,3-dimethyl-1-(4-methylphenyl)piperazine-2,5-dione
SMILESCc1ccc(N2CC(=O)NC(C)(C)C2=O)cc1
InChIInChI=1S/C13H16N2O2/c1-9-4-6-10(7-5-9)15-8-11(16)14-13(2,3)12(15)17/h4-7H,8H2,1-3H3,(H,14,16)
InChIKeyFSGCIRDIWMMVFE-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.24
Rot. Bonds1

About 3,3-dimethyl-1-(4-methylphenyl)piperazine-2,5-dione

3,3-dimethyl-1-(4-methylphenyl)piperazine-2,5-dione (PubChem CID 64959294) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3,3-dimethyl-1-(4-methylphenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-(4-methylphenyl)piperazine-2,5-dione
PubChem CID64959294
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3,3-dimethyl-1-(4-methylphenyl)piperazine-2,5-dione
SMILESCc1ccc(N2CC(=O)NC(C)(C)C2=O)cc1
InChIInChI=1S/C13H16N2O2/c1-9-4-6-10(7-5-9)15-8-11(16)14-13(2,3)12(15)17/h4-7H,8H2,1-3H3,(H,14,16)
InChIKeyFSGCIRDIWMMVFE-UHFFFAOYSA-N
XLogP1.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(4-methylphenyl)piperazine-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-(4-methylphenyl)piperazine-2,5-dione (CID 64959294) is 3,3-dimethyl-1-(4-methylphenyl)piperazine-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-(4-methylphenyl)piperazine-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-(4-methylphenyl)piperazine-2,5-dione is Cc1ccc(N2CC(=O)NC(C)(C)C2=O)cc1.
What is the InChIKey of 3,3-dimethyl-1-(4-methylphenyl)piperazine-2,5-dione?
The InChIKey is FSGCIRDIWMMVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9-4-6-10(7-5-9)15-8-11(16)14-13(2,3)12(15)17/h4-7H,8H2,1-3H3,(H,14,16).
What are the key properties of 3,3-dimethyl-1-(4-methylphenyl)piperazine-2,5-dione?
3,3-dimethyl-1-(4-methylphenyl)piperazine-2,5-dione has a molecular weight of 232.28 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(4-methylphenyl)piperazine-2,5-dione is sourced from PubChem (CID 64959294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).