3-tert-butyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione

C13H24N2O4 — CID 64880764

IUPAC3-tert-butyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione
SMILESCOCCOCCN1CC(=O)NC(C(C)(C)C)C1=O
InChIInChI=1S/C13H24N2O4/c1-13(2,3)11-12(17)15(9-10(16)14-11)5-6-19-8-7-18-4/h11H,5-9H2,1-4H3,(H,14,16)
InChIKeyUUCCBEKYMBPPDV-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.02
Rot. Bonds6

About 3-tert-butyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione

3-tert-butyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione (PubChem CID 64880764) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 3-tert-butyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione
PubChem CID64880764
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name3-tert-butyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione
SMILESCOCCOCCN1CC(=O)NC(C(C)(C)C)C1=O
InChIInChI=1S/C13H24N2O4/c1-13(2,3)11-12(17)15(9-10(16)14-11)5-6-19-8-7-18-4/h11H,5-9H2,1-4H3,(H,14,16)
InChIKeyUUCCBEKYMBPPDV-UHFFFAOYSA-N
XLogP0.02
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 64880925
1-[2-(2-methoxyethoxy)ethyl]-3-propylpiperazine-2,5-dione
CID 64880934
3-tert-butyl-1-nonylpiperazine-2,5-dione
CID 64880756
3-tert-butyl-1-(4-methoxybutyl)-1,4-diazepane-2,5-dione
CID 64967515
3-tert-butyl-1-but-3-ynylpiperazine-2,5-dione
CID 64972437
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazolidine-2,4-dione
CID 113427526
1-[2-(3-methoxypropoxy)ethyl]-3-propan-2-ylpiperazine-2,5-dione
CID 103184685
3-[2-(2-methoxyethoxy)ethyl]-5-methylimidazolidin-4-one
CID 83256580
3-tert-butyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione
CID 107902440
1-[(E)-but-2-enyl]-3-tert-butylpiperazine-2,5-dione
CID 107898423
3-tert-butyl-6-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione
CID 64902074
3-tert-butyl-1-[2-(furan-2-yl)ethyl]piperazine-2,5-dione
CID 64964726

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione (CID 64880764) is 3-tert-butyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione is COCCOCCN1CC(=O)NC(C(C)(C)C)C1=O.
What is the InChIKey of 3-tert-butyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione?
The InChIKey is UUCCBEKYMBPPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-13(2,3)11-12(17)15(9-10(16)14-11)5-6-19-8-7-18-4/h11H,5-9H2,1-4H3,(H,14,16).
What are the key properties of 3-tert-butyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione?
3-tert-butyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione has a molecular weight of 272.34 g/mol, XLogP of 0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 64880764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).