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

C15H28N2O3 — CID 64880859

IUPAC6-tert-butyl-1-[2-(3-methylbutoxy)ethyl]piperazine-2,5-dione
SMILESCC(C)CCOCCN1C(=O)CNC(=O)C1C(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-11(2)6-8-20-9-7-17-12(18)10-16-14(19)13(17)15(3,4)5/h11,13H,6-10H2,1-5H3,(H,16,19)
InChIKeyWFQCFHDRAZBYMQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.42
Rot. Bonds6

About 6-tert-butyl-1-[2-(3-methylbutoxy)ethyl]piperazine-2,5-dione

6-tert-butyl-1-[2-(3-methylbutoxy)ethyl]piperazine-2,5-dione (PubChem CID 64880859) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 6-tert-butyl-1-[2-(3-methylbutoxy)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-tert-butyl-1-[2-(3-methylbutoxy)ethyl]piperazine-2,5-dione
PubChem CID64880859
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name6-tert-butyl-1-[2-(3-methylbutoxy)ethyl]piperazine-2,5-dione
SMILESCC(C)CCOCCN1C(=O)CNC(=O)C1C(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-11(2)6-8-20-9-7-17-12(18)10-16-14(19)13(17)15(3,4)5/h11,13H,6-10H2,1-5H3,(H,16,19)
InChIKeyWFQCFHDRAZBYMQ-UHFFFAOYSA-N
XLogP1.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.42
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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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-[2-(3-methylbutoxy)ethyl]piperazine-2,5-dione?
The IUPAC name of 6-tert-butyl-1-[2-(3-methylbutoxy)ethyl]piperazine-2,5-dione (CID 64880859) is 6-tert-butyl-1-[2-(3-methylbutoxy)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 6-tert-butyl-1-[2-(3-methylbutoxy)ethyl]piperazine-2,5-dione?
The canonical SMILES for 6-tert-butyl-1-[2-(3-methylbutoxy)ethyl]piperazine-2,5-dione is CC(C)CCOCCN1C(=O)CNC(=O)C1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-1-[2-(3-methylbutoxy)ethyl]piperazine-2,5-dione?
The InChIKey is WFQCFHDRAZBYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11(2)6-8-20-9-7-17-12(18)10-16-14(19)13(17)15(3,4)5/h11,13H,6-10H2,1-5H3,(H,16,19).
What are the key properties of 6-tert-butyl-1-[2-(3-methylbutoxy)ethyl]piperazine-2,5-dione?
6-tert-butyl-1-[2-(3-methylbutoxy)ethyl]piperazine-2,5-dione has a molecular weight of 284.40 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-[2-(3-methylbutoxy)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 64880859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).