6-tert-butyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione

C17H32N2O2 — CID 64872557

IUPAC6-tert-butyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione
SMILESCCCCC(CC)CN1C(=O)C(C)NC(=O)C1C(C)(C)C
InChIInChI=1S/C17H32N2O2/c1-7-9-10-13(8-2)11-19-14(17(4,5)6)15(20)18-12(3)16(19)21/h12-14H,7-11H2,1-6H3,(H,18,20)
InChIKeyDMIDYMARXLHVKL-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.96
Rot. Bonds6

About 6-tert-butyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione

6-tert-butyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione (PubChem CID 64872557) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 6-tert-butyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-tert-butyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione
PubChem CID64872557
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC Name6-tert-butyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione
SMILESCCCCC(CC)CN1C(=O)C(C)NC(=O)C1C(C)(C)C
InChIInChI=1S/C17H32N2O2/c1-7-9-10-13(8-2)11-19-14(17(4,5)6)15(20)18-12(3)16(19)21/h12-14H,7-11H2,1-6H3,(H,18,20)
InChIKeyDMIDYMARXLHVKL-UHFFFAOYSA-N
XLogP2.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione
CID 64873285
1-(2-ethylhexyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64873494
6-tert-butyl-1-(2-ethylbutyl)-3-propylpiperazine-2,5-dione
CID 82926672
6-tert-butyl-3-ethyl-1-(2-ethylbutyl)piperazine-2,5-dione
CID 82934453
1-(2-ethylhexyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64872963
3-cyclopropyl-1-(2-ethylhexyl)-3,6-dimethylpiperazine-2,5-dione
CID 64885751
6-tert-butyl-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione
CID 115943709
6-tert-butyl-3-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione
CID 64874333
9-(2-ethylhexyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64885340
6-tert-butyl-3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2,5-dione
CID 103016822
6-tert-butyl-1-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64873023
6-tert-butyl-3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170198

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione?
The IUPAC name of 6-tert-butyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione (CID 64872557) is 6-tert-butyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 6-tert-butyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione?
The canonical SMILES for 6-tert-butyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione is CCCCC(CC)CN1C(=O)C(C)NC(=O)C1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione?
The InChIKey is DMIDYMARXLHVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-7-9-10-13(8-2)11-19-14(17(4,5)6)15(20)18-12(3)16(19)21/h12-14H,7-11H2,1-6H3,(H,18,20).
What are the key properties of 6-tert-butyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione?
6-tert-butyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione has a molecular weight of 296.46 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64872557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).