3,3-diethyl-6-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione

C17H24N2O2 — CID 64887687

IUPAC3,3-diethyl-6-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(C)N(Cc2ccccc2C)C1=O
InChIInChI=1S/C17H24N2O2/c1-5-17(6-2)16(21)19(13(4)15(20)18-17)11-14-10-8-7-9-12(14)3/h7-10,13H,5-6,11H2,1-4H3,(H,18,20)
InChIKeyKNMUNDFYTMGSQG-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.40
Rot. Bonds4

About 3,3-diethyl-6-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione

3,3-diethyl-6-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione (PubChem CID 64887687) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3,3-diethyl-6-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-6-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione
PubChem CID64887687
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3,3-diethyl-6-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(C)N(Cc2ccccc2C)C1=O
InChIInChI=1S/C17H24N2O2/c1-5-17(6-2)16(21)19(13(4)15(20)18-17)11-14-10-8-7-9-12(14)3/h7-10,13H,5-6,11H2,1-4H3,(H,18,20)
InChIKeyKNMUNDFYTMGSQG-UHFFFAOYSA-N
XLogP2.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-diethyl-6-methyl-1-[(4-methylphenyl)methyl]piperazine-2,5-dione
CID 64887112
3,3-diethyl-6-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione
CID 64968277
3-ethyl-3,6-dimethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine-2,5-dione
CID 114957745
3,3-diethyl-6-methyl-1-prop-2-enylpiperazine-2,5-dione
CID 64884818
3-butan-2-yl-6-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione
CID 64902888
3,3-diethyl-6-methyl-1-[(2-methylcyclopropyl)methyl]piperazine-2,5-dione
CID 113464217
3,3-dimethyl-1-[(2-methylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64900825
1-(2-chlorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione
CID 64962615
3,3-diethyl-6-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine-2,5-dione
CID 64884819
3,3-diethyl-1-(2-methoxyphenyl)-6-methylpiperazine-2,5-dione
CID 64956351
6-tert-butyl-3-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione
CID 64874333
3,3-diethyl-1-(2-fluoroethyl)-6-phenylpiperazine-2,5-dione
CID 80696421

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-6-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione?
The IUPAC name of 3,3-diethyl-6-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione (CID 64887687) is 3,3-diethyl-6-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-6-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3,3-diethyl-6-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione is CCC1(CC)NC(=O)C(C)N(Cc2ccccc2C)C1=O.
What is the InChIKey of 3,3-diethyl-6-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione?
The InChIKey is KNMUNDFYTMGSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-5-17(6-2)16(21)19(13(4)15(20)18-17)11-14-10-8-7-9-12(14)3/h7-10,13H,5-6,11H2,1-4H3,(H,18,20).
What are the key properties of 3,3-diethyl-6-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione?
3,3-diethyl-6-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-6-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64887687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).