3-tert-butyl-4-methylpiperazine-2,6-dione

C9H16N2O2 — CID 130597254

IUPAC3-tert-butyl-4-methylpiperazine-2,6-dione
SMILESCN1CC(=O)NC(=O)C1C(C)(C)C
InChIInChI=1S/C9H16N2O2/c1-9(2,3)7-8(13)10-6(12)5-11(7)4/h7H,5H2,1-4H3,(H,10,12,13)
InChIKeyWIJITDBPIQGFHS-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.01
Rot. Bonds

About 3-tert-butyl-4-methylpiperazine-2,6-dione

3-tert-butyl-4-methylpiperazine-2,6-dione (PubChem CID 130597254) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-tert-butyl-4-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name3-tert-butyl-4-methylpiperazine-2,6-dione
PubChem CID130597254
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-tert-butyl-4-methylpiperazine-2,6-dione
SMILESCN1CC(=O)NC(=O)C1C(C)(C)C
InChIInChI=1S/C9H16N2O2/c1-9(2,3)7-8(13)10-6(12)5-11(7)4/h7H,5H2,1-4H3,(H,10,12,13)
InChIKeyWIJITDBPIQGFHS-UHFFFAOYSA-N
XLogP-0.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-methylpiperazine-2,6-dione?
The IUPAC name of 3-tert-butyl-4-methylpiperazine-2,6-dione (CID 130597254) is 3-tert-butyl-4-methylpiperazine-2,6-dione.
What is the SMILES notation for 3-tert-butyl-4-methylpiperazine-2,6-dione?
The canonical SMILES for 3-tert-butyl-4-methylpiperazine-2,6-dione is CN1CC(=O)NC(=O)C1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-4-methylpiperazine-2,6-dione?
The InChIKey is WIJITDBPIQGFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-9(2,3)7-8(13)10-6(12)5-11(7)4/h7H,5H2,1-4H3,(H,10,12,13).
What are the key properties of 3-tert-butyl-4-methylpiperazine-2,6-dione?
3-tert-butyl-4-methylpiperazine-2,6-dione has a molecular weight of 184.24 g/mol, XLogP of -0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-methylpiperazine-2,6-dione is sourced from PubChem (CID 130597254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).