1-tert-butylpiperazine-2,5-dione

C8H14N2O2 — CID 59985769

IUPAC1-tert-butylpiperazine-2,5-dione
SMILESCC(C)(C)N1CC(=O)NCC1=O
InChIInChI=1S/C8H14N2O2/c1-8(2,3)10-5-6(11)9-4-7(10)12/h4-5H2,1-3H3,(H,9,11)
InChIKeySUHALEBOUNOUES-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.26
Rot. Bonds

About 1-tert-butylpiperazine-2,5-dione

1-tert-butylpiperazine-2,5-dione (PubChem CID 59985769) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-tert-butylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-tert-butylpiperazine-2,5-dione
PubChem CID59985769
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name1-tert-butylpiperazine-2,5-dione
SMILESCC(C)(C)N1CC(=O)NCC1=O
InChIInChI=1S/C8H14N2O2/c1-8(2,3)10-5-6(11)9-4-7(10)12/h4-5H2,1-3H3,(H,9,11)
InChIKeySUHALEBOUNOUES-UHFFFAOYSA-N
XLogP-0.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpiperazine-2,5-dione?
The IUPAC name of 1-tert-butylpiperazine-2,5-dione (CID 59985769) is 1-tert-butylpiperazine-2,5-dione.
What is the SMILES notation for 1-tert-butylpiperazine-2,5-dione?
The canonical SMILES for 1-tert-butylpiperazine-2,5-dione is CC(C)(C)N1CC(=O)NCC1=O.
What is the InChIKey of 1-tert-butylpiperazine-2,5-dione?
The InChIKey is SUHALEBOUNOUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-8(2,3)10-5-6(11)9-4-7(10)12/h4-5H2,1-3H3,(H,9,11).
What are the key properties of 1-tert-butylpiperazine-2,5-dione?
1-tert-butylpiperazine-2,5-dione has a molecular weight of 170.21 g/mol, XLogP of -0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpiperazine-2,5-dione is sourced from PubChem (CID 59985769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).