3-methyl-1-(2-methylbutyl)piperazine-2,5-dione

C10H18N2O2 — CID 64881374

IUPAC3-methyl-1-(2-methylbutyl)piperazine-2,5-dione
SMILESCCC(C)CN1CC(=O)NC(C)C1=O
InChIInChI=1S/C10H18N2O2/c1-4-7(2)5-12-6-9(13)11-8(3)10(12)14/h7-8H,4-6H2,1-3H3,(H,11,13)
InChIKeyALDZWIIIJOGQDA-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.38
Rot. Bonds3

About 3-methyl-1-(2-methylbutyl)piperazine-2,5-dione

3-methyl-1-(2-methylbutyl)piperazine-2,5-dione (PubChem CID 64881374) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-methyl-1-(2-methylbutyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(2-methylbutyl)piperazine-2,5-dione
PubChem CID64881374
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3-methyl-1-(2-methylbutyl)piperazine-2,5-dione
SMILESCCC(C)CN1CC(=O)NC(C)C1=O
InChIInChI=1S/C10H18N2O2/c1-4-7(2)5-12-6-9(13)11-8(3)10(12)14/h7-8H,4-6H2,1-3H3,(H,11,13)
InChIKeyALDZWIIIJOGQDA-UHFFFAOYSA-N
XLogP0.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylbutyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64879559
(3S)-3-methyl-1-propan-2-ylpiperazine-2,5-dione
CID 164760236
3-methyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
CID 64880984
1-hexan-2-yl-3-methylpiperazine-2,5-dione
CID 64969050
3-cyclopropyl-1-(2-methylpropyl)piperazine-2,5-dione
CID 64881556
1-(3-methoxy-2-methylpropyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64968689
1-(2-ethylhexyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64880912
3-butan-2-yl-1-methylpiperazine-2,5-dione
CID 64880533
3-(2-methylbutyl)-5-propylimidazolidin-4-one
CID 83253599
1-(2-cyclopentylethyl)-3-methylpiperazine-2,5-dione
CID 64964119
3-methyl-1-pentan-3-yl-1,4-diazepane-2,5-dione
CID 64958129
3-butan-2-yl-1-(2-fluoroethyl)piperazine-2,5-dione
CID 80697451

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylbutyl)piperazine-2,5-dione?
The IUPAC name of 3-methyl-1-(2-methylbutyl)piperazine-2,5-dione (CID 64881374) is 3-methyl-1-(2-methylbutyl)piperazine-2,5-dione.
What is the SMILES notation for 3-methyl-1-(2-methylbutyl)piperazine-2,5-dione?
The canonical SMILES for 3-methyl-1-(2-methylbutyl)piperazine-2,5-dione is CCC(C)CN1CC(=O)NC(C)C1=O.
What is the InChIKey of 3-methyl-1-(2-methylbutyl)piperazine-2,5-dione?
The InChIKey is ALDZWIIIJOGQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-7(2)5-12-6-9(13)11-8(3)10(12)14/h7-8H,4-6H2,1-3H3,(H,11,13).
What are the key properties of 3-methyl-1-(2-methylbutyl)piperazine-2,5-dione?
3-methyl-1-(2-methylbutyl)piperazine-2,5-dione has a molecular weight of 198.27 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylbutyl)piperazine-2,5-dione is sourced from PubChem (CID 64881374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).