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

C17H24N2O2 — CID 64902888

IUPAC3-butan-2-yl-6-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(C)N(Cc2ccccc2C)C1=O
InChIInChI=1S/C17H24N2O2/c1-5-11(2)15-17(21)19(13(4)16(20)18-15)10-14-9-7-6-8-12(14)3/h6-9,11,13,15H,5,10H2,1-4H3,(H,18,20)
InChIKeyNYWYWKLUBYUHKJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.26
Rot. Bonds4

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

3-butan-2-yl-6-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione (PubChem CID 64902888) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-butan-2-yl-6-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-6-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione
PubChem CID64902888
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-butan-2-yl-6-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(C)N(Cc2ccccc2C)C1=O
InChIInChI=1S/C17H24N2O2/c1-5-11(2)15-17(21)19(13(4)16(20)18-15)10-14-9-7-6-8-12(14)3/h6-9,11,13,15H,5,10H2,1-4H3,(H,18,20)
InChIKeyNYWYWKLUBYUHKJ-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-butan-2-yl-1-[(2-chlorophenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64901749
3-butan-2-yl-6-methyl-1-(2-methylphenyl)piperazine-2,5-dione
CID 64959451
3-butan-2-yl-1-[(5-ethylthiophen-2-yl)methyl]-6-methylpiperazine-2,5-dione
CID 64901564
6-ethyl-1-[(2-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64873857
3-butan-2-yl-6-methyl-1-(1,2-oxazol-5-ylmethyl)piperazine-2,5-dione
CID 106422209
3-butan-2-yl-6-methyl-1-(2-methylpentyl)piperazine-2,5-dione
CID 64901941
3-butan-2-yl-1-(2,3-dimethylbutyl)-6-methylpiperazine-2,5-dione
CID 64973180
1-[(5-fluoro-2-methylphenyl)methyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 105375775
3-butan-2-yl-1-[(E)-but-2-enyl]-6-methylpiperazine-2,5-dione
CID 114013986
3,3-diethyl-6-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione
CID 64887687
3-butan-2-yl-6-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione
CID 106290775
3-butan-2-yl-6-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione
CID 106733586

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-6-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-6-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione (CID 64902888) is 3-butan-2-yl-6-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-6-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-6-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione is CCC(C)C1NC(=O)C(C)N(Cc2ccccc2C)C1=O.
What is the InChIKey of 3-butan-2-yl-6-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione?
The InChIKey is NYWYWKLUBYUHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-5-11(2)15-17(21)19(13(4)16(20)18-15)10-14-9-7-6-8-12(14)3/h6-9,11,13,15H,5,10H2,1-4H3,(H,18,20).
What are the key properties of 3-butan-2-yl-6-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione?
3-butan-2-yl-6-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.26, 4 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)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64902888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).