3-butan-2-yl-6-methyl-1-(2-methylphenyl)piperazine-2,5-dione

C16H22N2O2 — CID 64959451

IUPAC3-butan-2-yl-6-methyl-1-(2-methylphenyl)piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(C)N(c2ccccc2C)C1=O
InChIInChI=1S/C16H22N2O2/c1-5-10(2)14-16(20)18(12(4)15(19)17-14)13-9-7-6-8-11(13)3/h6-10,12,14H,5H2,1-4H3,(H,17,19)
InChIKeyFUKJCOCTJROCBA-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.26
Rot. Bonds3

About 3-butan-2-yl-6-methyl-1-(2-methylphenyl)piperazine-2,5-dione

3-butan-2-yl-6-methyl-1-(2-methylphenyl)piperazine-2,5-dione (PubChem CID 64959451) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-butan-2-yl-6-methyl-1-(2-methylphenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-6-methyl-1-(2-methylphenyl)piperazine-2,5-dione
PubChem CID64959451
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-butan-2-yl-6-methyl-1-(2-methylphenyl)piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(C)N(c2ccccc2C)C1=O
InChIInChI=1S/C16H22N2O2/c1-5-10(2)14-16(20)18(12(4)15(19)17-14)13-9-7-6-8-11(13)3/h6-10,12,14H,5H2,1-4H3,(H,17,19)
InChIKeyFUKJCOCTJROCBA-UHFFFAOYSA-N
XLogP2.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-butan-2-yl-6-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione
CID 64902888
3-butan-2-yl-1-(4-chloro-2-fluorophenyl)-6-methylpiperazine-2,5-dione
CID 64965250
1-(5-bromo-2-fluorophenyl)-3-butan-2-yl-6-methylpiperazine-2,5-dione
CID 64961174
1-(2-ethoxyphenyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64957192
3-tert-butyl-6-methyl-1-(2-methylphenyl)piperazine-2,5-dione
CID 64959323
3-butan-2-yl-6-ethyl-1-phenylpiperazine-2,5-dione
CID 64958754
3-butan-2-yl-6-methyl-1-(2-methylpentyl)piperazine-2,5-dione
CID 64901941
3-butan-2-yl-1-[(2-chlorophenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64901749
3-butan-2-yl-1-(2,3-dimethylbutyl)-6-methylpiperazine-2,5-dione
CID 64973180
3-butan-2-yl-6-methyl-1-(3-methylpentan-3-yl)piperazine-2,5-dione
CID 106329188
3-butan-2-yl-1-(1-cyclopropylethyl)-6-methylpiperazine-2,5-dione
CID 64960605
1-(2-bromo-3-chlorophenyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 103481750

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-6-methyl-1-(2-methylphenyl)piperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-6-methyl-1-(2-methylphenyl)piperazine-2,5-dione (CID 64959451) is 3-butan-2-yl-6-methyl-1-(2-methylphenyl)piperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-6-methyl-1-(2-methylphenyl)piperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-6-methyl-1-(2-methylphenyl)piperazine-2,5-dione is CCC(C)C1NC(=O)C(C)N(c2ccccc2C)C1=O.
What is the InChIKey of 3-butan-2-yl-6-methyl-1-(2-methylphenyl)piperazine-2,5-dione?
The InChIKey is FUKJCOCTJROCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-5-10(2)14-16(20)18(12(4)15(19)17-14)13-9-7-6-8-11(13)3/h6-10,12,14H,5H2,1-4H3,(H,17,19).
What are the key properties of 3-butan-2-yl-6-methyl-1-(2-methylphenyl)piperazine-2,5-dione?
3-butan-2-yl-6-methyl-1-(2-methylphenyl)piperazine-2,5-dione has a molecular weight of 274.36 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-6-methyl-1-(2-methylphenyl)piperazine-2,5-dione is sourced from PubChem (CID 64959451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).