6-tert-butyl-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione

C15H28N2O3 — CID 115943709

IUPAC6-tert-butyl-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione
SMILESCC1NC(=O)C(C(C)(C)C)N(CCOC(C)(C)C)C1=O
InChIInChI=1S/C15H28N2O3/c1-10-13(19)17(8-9-20-15(5,6)7)11(12(18)16-10)14(2,3)4/h10-11H,8-9H2,1-7H3,(H,16,18)
InChIKeyLJWRVYTWARBWGT-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.56
Rot. Bonds3

About 6-tert-butyl-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione

6-tert-butyl-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione (PubChem CID 115943709) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 6-tert-butyl-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-tert-butyl-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione
PubChem CID115943709
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name6-tert-butyl-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione
SMILESCC1NC(=O)C(C(C)(C)C)N(CCOC(C)(C)C)C1=O
InChIInChI=1S/C15H28N2O3/c1-10-13(19)17(8-9-20-15(5,6)7)11(12(18)16-10)14(2,3)4/h10-11H,8-9H2,1-7H3,(H,16,18)
InChIKeyLJWRVYTWARBWGT-UHFFFAOYSA-N
XLogP1.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-tert-butyl-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione with MolForge

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Related Compounds

6-tert-butyl-3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170198
6-tert-butyl-3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2,5-dione
CID 103016822
6-tert-butyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione
CID 102879734
6-tert-butyl-3-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione
CID 64874333
6-tert-butyl-3-cyclopropyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
CID 64886581
6-tert-butyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione
CID 64872557
6-tert-butyl-3-methyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione
CID 64873934
6-tert-butyl-3-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione
CID 64902809
6-cyclopropyl-3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione
CID 115943725
3-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 115943732
3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,6-dione
CID 112591354
1-[(5-bromo-2-pyridinyl)methyl]-6-tert-butyl-3-methylpiperazine-2,5-dione
CID 104812699

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione?
The IUPAC name of 6-tert-butyl-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione (CID 115943709) is 6-tert-butyl-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione.
What is the SMILES notation for 6-tert-butyl-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione?
The canonical SMILES for 6-tert-butyl-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione is CC1NC(=O)C(C(C)(C)C)N(CCOC(C)(C)C)C1=O.
What is the InChIKey of 6-tert-butyl-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione?
The InChIKey is LJWRVYTWARBWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-10-13(19)17(8-9-20-15(5,6)7)11(12(18)16-10)14(2,3)4/h10-11H,8-9H2,1-7H3,(H,16,18).
What are the key properties of 6-tert-butyl-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione?
6-tert-butyl-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione has a molecular weight of 284.40 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione is sourced from PubChem (CID 115943709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).