1-tert-butyl-4-propan-2-ylpiperazine-2,6-dione

C11H20N2O2 — CID 59551071

IUPAC1-tert-butyl-4-propan-2-ylpiperazine-2,6-dione
SMILESCC(C)N1CC(=O)N(C(C)(C)C)C(=O)C1
InChIInChI=1S/C11H20N2O2/c1-8(2)12-6-9(14)13(10(15)7-12)11(3,4)5/h8H,6-7H2,1-5H3
InChIKeyKNQMLRHSDVREIC-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.86
Rot. Bonds1

About 1-tert-butyl-4-propan-2-ylpiperazine-2,6-dione

1-tert-butyl-4-propan-2-ylpiperazine-2,6-dione (PubChem CID 59551071) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-tert-butyl-4-propan-2-ylpiperazine-2,6-dione.

Molecular Properties

Compound Name1-tert-butyl-4-propan-2-ylpiperazine-2,6-dione
PubChem CID59551071
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-tert-butyl-4-propan-2-ylpiperazine-2,6-dione
SMILESCC(C)N1CC(=O)N(C(C)(C)C)C(=O)C1
InChIInChI=1S/C11H20N2O2/c1-8(2)12-6-9(14)13(10(15)7-12)11(3,4)5/h8H,6-7H2,1-5H3
InChIKeyKNQMLRHSDVREIC-UHFFFAOYSA-N
XLogP0.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.86
H-Bond Donors ≤ 50
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 1-tert-butyl-4-propan-2-ylpiperazine-2,6-dione?
The IUPAC name of 1-tert-butyl-4-propan-2-ylpiperazine-2,6-dione (CID 59551071) is 1-tert-butyl-4-propan-2-ylpiperazine-2,6-dione.
What is the SMILES notation for 1-tert-butyl-4-propan-2-ylpiperazine-2,6-dione?
The canonical SMILES for 1-tert-butyl-4-propan-2-ylpiperazine-2,6-dione is CC(C)N1CC(=O)N(C(C)(C)C)C(=O)C1.
What is the InChIKey of 1-tert-butyl-4-propan-2-ylpiperazine-2,6-dione?
The InChIKey is KNQMLRHSDVREIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8(2)12-6-9(14)13(10(15)7-12)11(3,4)5/h8H,6-7H2,1-5H3.
What are the key properties of 1-tert-butyl-4-propan-2-ylpiperazine-2,6-dione?
1-tert-butyl-4-propan-2-ylpiperazine-2,6-dione has a molecular weight of 212.29 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-propan-2-ylpiperazine-2,6-dione is sourced from PubChem (CID 59551071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).