1-(3,3-dimethylbutyl)-3,6-diethylpiperazine-2,5-dione

C14H26N2O2 — CID 64901256

IUPAC1-(3,3-dimethylbutyl)-3,6-diethylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(CCC(C)(C)C)C1=O
InChIInChI=1S/C14H26N2O2/c1-6-10-13(18)16(9-8-14(3,4)5)11(7-2)12(17)15-10/h10-11H,6-9H2,1-5H3,(H,15,17)
InChIKeyKAJYYIJHCLHUBG-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.94
Rot. Bonds4

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

1-(3,3-dimethylbutyl)-3,6-diethylpiperazine-2,5-dione (PubChem CID 64901256) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-3,6-diethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-3,6-diethylpiperazine-2,5-dione
PubChem CID64901256
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-(3,3-dimethylbutyl)-3,6-diethylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(CCC(C)(C)C)C1=O
InChIInChI=1S/C14H26N2O2/c1-6-10-13(18)16(9-8-14(3,4)5)11(7-2)12(17)15-10/h10-11H,6-9H2,1-5H3,(H,15,17)
InChIKeyKAJYYIJHCLHUBG-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-cyclohexylethyl)-3,6-diethylpiperazine-2,5-dione
CID 64964026
1-but-3-ynyl-3,6-diethylpiperazine-2,5-dione
CID 64972522
3,6-diethyl-1-[(4-ethylcyclohexyl)methyl]piperazine-2,5-dione
CID 64968208
1-(cyclopentylmethyl)-3,6-diethylpiperazine-2,5-dione
CID 64902210
6-tert-butyl-3-ethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
CID 64902045
3,6-diethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine-2,5-dione
CID 114469770
6-ethyl-3-propyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione
CID 115522571
1-[(2,2-dimethylcyclopropyl)methyl]-3,6-diethylpiperazine-2,5-dione
CID 114109548
1-[(1,4-dimethylpiperidin-4-yl)methyl]-3,6-diethylpiperazine-2,5-dione
CID 107165375
3,6-diethyl-1-[(4-methylcyclohexyl)methyl]piperazine-2,5-dione
CID 64970352
3,6-diethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione
CID 106409492
3,6-diethyl-1-[(1-methylpiperidin-3-yl)methyl]piperazine-2,5-dione
CID 64967485

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)-3,6-diethylpiperazine-2,5-dione?
The IUPAC name of 1-(3,3-dimethylbutyl)-3,6-diethylpiperazine-2,5-dione (CID 64901256) is 1-(3,3-dimethylbutyl)-3,6-diethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-3,6-diethylpiperazine-2,5-dione?
The canonical SMILES for 1-(3,3-dimethylbutyl)-3,6-diethylpiperazine-2,5-dione is CCC1NC(=O)C(CC)N(CCC(C)(C)C)C1=O.
What is the InChIKey of 1-(3,3-dimethylbutyl)-3,6-diethylpiperazine-2,5-dione?
The InChIKey is KAJYYIJHCLHUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-6-10-13(18)16(9-8-14(3,4)5)11(7-2)12(17)15-10/h10-11H,6-9H2,1-5H3,(H,15,17).
What are the key properties of 1-(3,3-dimethylbutyl)-3,6-diethylpiperazine-2,5-dione?
1-(3,3-dimethylbutyl)-3,6-diethylpiperazine-2,5-dione has a molecular weight of 254.37 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)-3,6-diethylpiperazine-2,5-dione is sourced from PubChem (CID 64901256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).