3-tert-butyl-6-methyl-1-(2-propoxyethyl)piperazine-2,5-dione

C14H26N2O3 — CID 106459018

IUPAC3-tert-butyl-6-methyl-1-(2-propoxyethyl)piperazine-2,5-dione
SMILESCCCOCCN1C(=O)C(C(C)(C)C)NC(=O)C1C
InChIInChI=1S/C14H26N2O3/c1-6-8-19-9-7-16-10(2)12(17)15-11(13(16)18)14(3,4)5/h10-11H,6-9H2,1-5H3,(H,15,17)
InChIKeyVTXOIDUTLKPBPR-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.17
Rot. Bonds5

About 3-tert-butyl-6-methyl-1-(2-propoxyethyl)piperazine-2,5-dione

3-tert-butyl-6-methyl-1-(2-propoxyethyl)piperazine-2,5-dione (PubChem CID 106459018) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-tert-butyl-6-methyl-1-(2-propoxyethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-6-methyl-1-(2-propoxyethyl)piperazine-2,5-dione
PubChem CID106459018
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-tert-butyl-6-methyl-1-(2-propoxyethyl)piperazine-2,5-dione
SMILESCCCOCCN1C(=O)C(C(C)(C)C)NC(=O)C1C
InChIInChI=1S/C14H26N2O3/c1-6-8-19-9-7-16-10(2)12(17)15-11(13(16)18)14(3,4)5/h10-11H,6-9H2,1-5H3,(H,15,17)
InChIKeyVTXOIDUTLKPBPR-UHFFFAOYSA-N
XLogP1.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-tert-butyl-6-methyl-1-octylpiperazine-2,5-dione
CID 64902838
3-tert-butyl-6-methyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64900734
3-tert-butyl-6-methyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione
CID 64900733
3-tert-butyl-6-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione
CID 64902074
3-tert-butyl-6-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627661
3-tert-butyl-6-methyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione
CID 64902646
1-(2-butoxyethyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64873847
3-tert-butyl-6-methyl-1-(2-thiomorpholin-4-ylethyl)piperazine-2,5-dione
CID 106326406
3-tert-butyl-1,6-dimethylpiperazine-2,5-dione
CID 64902648
3-tert-butyl-1-pentyl-6-propylpiperazine-2,5-dione
CID 64901503
3-tert-butyl-6-methyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione
CID 64971337
6-methyl-1-[2-(3-methylbutoxy)ethyl]-3-propylpiperazine-2,5-dione
CID 64872765

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-methyl-1-(2-propoxyethyl)piperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-6-methyl-1-(2-propoxyethyl)piperazine-2,5-dione (CID 106459018) is 3-tert-butyl-6-methyl-1-(2-propoxyethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-6-methyl-1-(2-propoxyethyl)piperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-6-methyl-1-(2-propoxyethyl)piperazine-2,5-dione is CCCOCCN1C(=O)C(C(C)(C)C)NC(=O)C1C.
What is the InChIKey of 3-tert-butyl-6-methyl-1-(2-propoxyethyl)piperazine-2,5-dione?
The InChIKey is VTXOIDUTLKPBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-6-8-19-9-7-16-10(2)12(17)15-11(13(16)18)14(3,4)5/h10-11H,6-9H2,1-5H3,(H,15,17).
What are the key properties of 3-tert-butyl-6-methyl-1-(2-propoxyethyl)piperazine-2,5-dione?
3-tert-butyl-6-methyl-1-(2-propoxyethyl)piperazine-2,5-dione has a molecular weight of 270.37 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-methyl-1-(2-propoxyethyl)piperazine-2,5-dione is sourced from PubChem (CID 106459018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).