6-methyl-1-(4-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione

C15H20N2O2 — CID 64959513

IUPAC6-methyl-1-(4-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCc1ccc(N2C(=O)C(C(C)C)NC(=O)C2C)cc1
InChIInChI=1S/C15H20N2O2/c1-9(2)13-15(19)17(11(4)14(18)16-13)12-7-5-10(3)6-8-12/h5-9,11,13H,1-4H3,(H,16,18)
InChIKeyIBNCPMNTTCCDFV-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.87
Rot. Bonds2

About 6-methyl-1-(4-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione

6-methyl-1-(4-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64959513) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-methyl-1-(4-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-methyl-1-(4-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64959513
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name6-methyl-1-(4-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCc1ccc(N2C(=O)C(C(C)C)NC(=O)C2C)cc1
InChIInChI=1S/C15H20N2O2/c1-9(2)13-15(19)17(11(4)14(18)16-13)12-7-5-10(3)6-8-12/h5-9,11,13H,1-4H3,(H,16,18)
InChIKeyIBNCPMNTTCCDFV-UHFFFAOYSA-N
XLogP1.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-3-propan-2-yl-1-(4-propan-2-ylphenyl)piperazine-2,5-dione
CID 64956449
1-(4-bromo-3,5-dimethylphenyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 107580140
6-methyl-1-[(4-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64874446
6-methyl-1-(3-methylsulfanylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64961845
6-methyl-1-(4-methylphenyl)-3-propylpiperazine-2,5-dione
CID 64959354
(5S)-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
CID 2376088
1-(2-chloro-4-fluorophenyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64961468
1-(2-bromo-3-chlorophenyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 103481750
1-(2-ethoxyphenyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64957192
6-methyl-1-[1-(2-methylphenyl)ethyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64966064
6-methyl-1-(3-methylbutan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64959782
(5S)-3-[(2R)-2-(4-methylphenyl)propyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 99781661

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(4-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 6-methyl-1-(4-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione (CID 64959513) is 6-methyl-1-(4-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 6-methyl-1-(4-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 6-methyl-1-(4-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione is Cc1ccc(N2C(=O)C(C(C)C)NC(=O)C2C)cc1.
What is the InChIKey of 6-methyl-1-(4-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is IBNCPMNTTCCDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-9(2)13-15(19)17(11(4)14(18)16-13)12-7-5-10(3)6-8-12/h5-9,11,13H,1-4H3,(H,16,18).
What are the key properties of 6-methyl-1-(4-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione?
6-methyl-1-(4-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 260.34 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(4-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64959513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).