6-methyl-1-(5-methylhexan-2-yl)piperazine-2,5-dione

C12H22N2O2 — CID 64971428

IUPAC6-methyl-1-(5-methylhexan-2-yl)piperazine-2,5-dione
SMILESCC(C)CCC(C)N1C(=O)CNC(=O)C1C
InChIInChI=1S/C12H22N2O2/c1-8(2)5-6-9(3)14-10(4)12(16)13-7-11(14)15/h8-10H,5-7H2,1-4H3,(H,13,16)
InChIKeyFYYKWJWJSUKGHW-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.16
Rot. Bonds4

About 6-methyl-1-(5-methylhexan-2-yl)piperazine-2,5-dione

6-methyl-1-(5-methylhexan-2-yl)piperazine-2,5-dione (PubChem CID 64971428) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 6-methyl-1-(5-methylhexan-2-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-methyl-1-(5-methylhexan-2-yl)piperazine-2,5-dione
PubChem CID64971428
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name6-methyl-1-(5-methylhexan-2-yl)piperazine-2,5-dione
SMILESCC(C)CCC(C)N1C(=O)CNC(=O)C1C
InChIInChI=1S/C12H22N2O2/c1-8(2)5-6-9(3)14-10(4)12(16)13-7-11(14)15/h8-10H,5-7H2,1-4H3,(H,13,16)
InChIKeyFYYKWJWJSUKGHW-UHFFFAOYSA-N
XLogP1.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-1-(1-methylsulfonylpropan-2-yl)piperazine-2,5-dione
CID 64973062
1-(5-methylhexan-2-yl)-6-phenylpiperazine-2,5-dione
CID 64971483
(6S)-1-[(1S)-1-(4-iodophenyl)ethyl]-6-methylpiperazine-2,5-dione
CID 10937222
3-[4-(dimethylamino)butan-2-yl]-2-methylimidazolidin-4-one
CID 83249108
3-[1-(dimethylamino)propan-2-yl]-2-methylimidazolidin-4-one
CID 83260354
6-cyclopropyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64878730
3-cyclopropyl-1-(5-methylhexan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64971527
1-but-3-ynyl-6-methylpiperazine-2,5-dione
CID 64972448
6-tert-butyl-1-propan-2-ylpiperazine-2,5-dione
CID 64880665
1-(7-methyloctyl)-6-propan-2-ylpiperazine-2,5-dione
CID 107818498
1-(3,3-dimethylbutan-2-yl)-6-ethylpiperazine-2,5-dione
CID 104830226
7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione
CID 64882407

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(5-methylhexan-2-yl)piperazine-2,5-dione?
The IUPAC name of 6-methyl-1-(5-methylhexan-2-yl)piperazine-2,5-dione (CID 64971428) is 6-methyl-1-(5-methylhexan-2-yl)piperazine-2,5-dione.
What is the SMILES notation for 6-methyl-1-(5-methylhexan-2-yl)piperazine-2,5-dione?
The canonical SMILES for 6-methyl-1-(5-methylhexan-2-yl)piperazine-2,5-dione is CC(C)CCC(C)N1C(=O)CNC(=O)C1C.
What is the InChIKey of 6-methyl-1-(5-methylhexan-2-yl)piperazine-2,5-dione?
The InChIKey is FYYKWJWJSUKGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-8(2)5-6-9(3)14-10(4)12(16)13-7-11(14)15/h8-10H,5-7H2,1-4H3,(H,13,16).
What are the key properties of 6-methyl-1-(5-methylhexan-2-yl)piperazine-2,5-dione?
6-methyl-1-(5-methylhexan-2-yl)piperazine-2,5-dione has a molecular weight of 226.32 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(5-methylhexan-2-yl)piperazine-2,5-dione is sourced from PubChem (CID 64971428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).