6-tert-butyl-1-propan-2-ylpiperazine-2,5-dione

C11H20N2O2 — CID 64880665

IUPAC6-tert-butyl-1-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)N1C(=O)CNC(=O)C1C(C)(C)C
InChIInChI=1S/C11H20N2O2/c1-7(2)13-8(14)6-12-10(15)9(13)11(3,4)5/h7,9H,6H2,1-5H3,(H,12,15)
InChIKeySLWQIHXXSGZPEY-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.77
Rot. Bonds1

About 6-tert-butyl-1-propan-2-ylpiperazine-2,5-dione

6-tert-butyl-1-propan-2-ylpiperazine-2,5-dione (PubChem CID 64880665) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 6-tert-butyl-1-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-tert-butyl-1-propan-2-ylpiperazine-2,5-dione
PubChem CID64880665
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name6-tert-butyl-1-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)N1C(=O)CNC(=O)C1C(C)(C)C
InChIInChI=1S/C11H20N2O2/c1-7(2)13-8(14)6-12-10(15)9(13)11(3,4)5/h7,9H,6H2,1-5H3,(H,12,15)
InChIKeySLWQIHXXSGZPEY-UHFFFAOYSA-N
XLogP0.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 6-tert-butyl-1-propan-2-ylpiperazine-2,5-dione (CID 64880665) is 6-tert-butyl-1-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 6-tert-butyl-1-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 6-tert-butyl-1-propan-2-ylpiperazine-2,5-dione is CC(C)N1C(=O)CNC(=O)C1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-1-propan-2-ylpiperazine-2,5-dione?
The InChIKey is SLWQIHXXSGZPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-7(2)13-8(14)6-12-10(15)9(13)11(3,4)5/h7,9H,6H2,1-5H3,(H,12,15).
What are the key properties of 6-tert-butyl-1-propan-2-ylpiperazine-2,5-dione?
6-tert-butyl-1-propan-2-ylpiperazine-2,5-dione has a molecular weight of 212.29 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64880665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).