6-tert-butyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione

C15H28N2O3 — CID 104650381

IUPAC6-tert-butyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione
SMILESCOCCCCN1C(=O)C(C)(C)NC(=O)C1C(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-14(2,3)11-12(18)16-15(4,5)13(19)17(11)9-7-8-10-20-6/h11H,7-10H2,1-6H3,(H,16,18)
InChIKeyYSQSYRXPJWUCSV-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.56
Rot. Bonds5

About 6-tert-butyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione

6-tert-butyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione (PubChem CID 104650381) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 6-tert-butyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-tert-butyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione
PubChem CID104650381
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name6-tert-butyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione
SMILESCOCCCCN1C(=O)C(C)(C)NC(=O)C1C(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-14(2,3)11-12(18)16-15(4,5)13(19)17(11)9-7-8-10-20-6/h11H,7-10H2,1-6H3,(H,16,18)
InChIKeyYSQSYRXPJWUCSV-UHFFFAOYSA-N
XLogP1.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione?
The IUPAC name of 6-tert-butyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione (CID 104650381) is 6-tert-butyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 6-tert-butyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione?
The canonical SMILES for 6-tert-butyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione is COCCCCN1C(=O)C(C)(C)NC(=O)C1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione?
The InChIKey is YSQSYRXPJWUCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-14(2,3)11-12(18)16-15(4,5)13(19)17(11)9-7-8-10-20-6/h11H,7-10H2,1-6H3,(H,16,18).
What are the key properties of 6-tert-butyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione?
6-tert-butyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione has a molecular weight of 284.40 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 104650381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).