3-ethyl-3,6-dimethyl-1-(2-methylbutyl)piperazine-2,5-dione

C13H24N2O2 — CID 64885851

IUPAC3-ethyl-3,6-dimethyl-1-(2-methylbutyl)piperazine-2,5-dione
SMILESCCC(C)CN1C(=O)C(C)(CC)NC(=O)C1C
InChIInChI=1S/C13H24N2O2/c1-6-9(3)8-15-10(4)11(16)14-13(5,7-2)12(15)17/h9-10H,6-8H2,1-5H3,(H,14,16)
InChIKeyPGXHAMMJVMQSBO-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.55
Rot. Bonds4

About 3-ethyl-3,6-dimethyl-1-(2-methylbutyl)piperazine-2,5-dione

3-ethyl-3,6-dimethyl-1-(2-methylbutyl)piperazine-2,5-dione (PubChem CID 64885851) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-ethyl-3,6-dimethyl-1-(2-methylbutyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3,6-dimethyl-1-(2-methylbutyl)piperazine-2,5-dione
PubChem CID64885851
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-ethyl-3,6-dimethyl-1-(2-methylbutyl)piperazine-2,5-dione
SMILESCCC(C)CN1C(=O)C(C)(CC)NC(=O)C1C
InChIInChI=1S/C13H24N2O2/c1-6-9(3)8-15-10(4)11(16)14-13(5,7-2)12(15)17/h9-10H,6-8H2,1-5H3,(H,14,16)
InChIKeyPGXHAMMJVMQSBO-UHFFFAOYSA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-3,6-dimethyl-1-(2-methylsulfinylpropyl)piperazine-2,5-dione
CID 113484519
1-(2,2-dimethylpropyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64963887
1-(cyclobutylmethyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64960278
1-[(E)-but-2-enyl]-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 107898302
1-(3,3-dimethylbutyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64887569
3-ethyl-3,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione
CID 106290614
3-ethyl-3,6-dimethyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione
CID 64971349
3,6-diethyl-3-methyl-1-(2-methylpropyl)piperazine-2,5-dione
CID 64886046
3-ethyl-3-methyl-1,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 64885290
3-ethyl-3,6-dimethyl-1-pent-4-ynylpiperazine-2,5-dione
CID 114160161
3-ethyl-3,6-dimethyl-1-(2-propylsulfonylethyl)piperazine-2,5-dione
CID 106733595
3-ethyl-3,6-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine-2,5-dione
CID 114469771

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,6-dimethyl-1-(2-methylbutyl)piperazine-2,5-dione?
The IUPAC name of 3-ethyl-3,6-dimethyl-1-(2-methylbutyl)piperazine-2,5-dione (CID 64885851) is 3-ethyl-3,6-dimethyl-1-(2-methylbutyl)piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-3,6-dimethyl-1-(2-methylbutyl)piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-3,6-dimethyl-1-(2-methylbutyl)piperazine-2,5-dione is CCC(C)CN1C(=O)C(C)(CC)NC(=O)C1C.
What is the InChIKey of 3-ethyl-3,6-dimethyl-1-(2-methylbutyl)piperazine-2,5-dione?
The InChIKey is PGXHAMMJVMQSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-6-9(3)8-15-10(4)11(16)14-13(5,7-2)12(15)17/h9-10H,6-8H2,1-5H3,(H,14,16).
What are the key properties of 3-ethyl-3,6-dimethyl-1-(2-methylbutyl)piperazine-2,5-dione?
3-ethyl-3,6-dimethyl-1-(2-methylbutyl)piperazine-2,5-dione has a molecular weight of 240.35 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,6-dimethyl-1-(2-methylbutyl)piperazine-2,5-dione is sourced from PubChem (CID 64885851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).