1-(3,3-dimethylbutyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione

C14H26N2O2 — CID 64887569

IUPAC1-(3,3-dimethylbutyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)N(CCC(C)(C)C)C1=O
InChIInChI=1S/C14H26N2O2/c1-7-14(6)12(18)16(9-8-13(3,4)5)10(2)11(17)15-14/h10H,7-9H2,1-6H3,(H,15,17)
InChIKeyFOBHWBWMQWPIGZ-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.94
Rot. Bonds3

About 1-(3,3-dimethylbutyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione

1-(3,3-dimethylbutyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione (PubChem CID 64887569) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
PubChem CID64887569
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-(3,3-dimethylbutyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)N(CCC(C)(C)C)C1=O
InChIInChI=1S/C14H26N2O2/c1-7-14(6)12(18)16(9-8-13(3,4)5)10(2)11(17)15-14/h10H,7-9H2,1-6H3,(H,15,17)
InChIKeyFOBHWBWMQWPIGZ-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylpropyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64963887
3-ethyl-3,6-dimethyl-1-[2-(4-methylcyclohexyl)ethyl]piperazine-2,5-dione
CID 64972263
3-ethyl-3,6-dimethyl-1-(2-propylsulfonylethyl)piperazine-2,5-dione
CID 106733595
3-ethyl-3,6-dimethyl-1-pent-4-ynylpiperazine-2,5-dione
CID 114160161
1-[(E)-but-2-enyl]-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 107898302
3-ethyl-3,6-dimethyl-1-(2-methylbutyl)piperazine-2,5-dione
CID 64885851
3-ethyl-3,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione
CID 106290614
1-(cyclobutylmethyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64960278
3-ethyl-3,6-dimethyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione
CID 64971349
3-ethyl-3,6-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine-2,5-dione
CID 114469771
3-ethyl-3,6-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine-2,5-dione
CID 64886998
3-ethyl-3,6-dimethyl-1-(2-methylsulfinylpropyl)piperazine-2,5-dione
CID 113484519

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-(3,3-dimethylbutyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione (CID 64887569) is 1-(3,3-dimethylbutyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-(3,3-dimethylbutyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione is CCC1(C)NC(=O)C(C)N(CCC(C)(C)C)C1=O.
What is the InChIKey of 1-(3,3-dimethylbutyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is FOBHWBWMQWPIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-7-14(6)12(18)16(9-8-13(3,4)5)10(2)11(17)15-14/h10H,7-9H2,1-6H3,(H,15,17).
What are the key properties of 1-(3,3-dimethylbutyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione?
1-(3,3-dimethylbutyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione has a molecular weight of 254.37 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64887569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).