1,4-ditert-butylpiperazine-2,5-dione

C12H22N2O2 — CID 5098792

IUPAC1,4-ditert-butylpiperazine-2,5-dione
SMILESCC(C)(C)N1CC(=O)N(C(C)(C)C)CC1=O
InChIInChI=1S/C12H22N2O2/c1-11(2,3)13-7-10(16)14(8-9(13)15)12(4,5)6/h7-8H2,1-6H3
InChIKeyGNSVHMBMVOMJBH-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.25
Rot. Bonds

About 1,4-ditert-butylpiperazine-2,5-dione

1,4-ditert-butylpiperazine-2,5-dione (PubChem CID 5098792) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1,4-ditert-butylpiperazine-2,5-dione.

Molecular Properties

Compound Name1,4-ditert-butylpiperazine-2,5-dione
PubChem CID5098792
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1,4-ditert-butylpiperazine-2,5-dione
SMILESCC(C)(C)N1CC(=O)N(C(C)(C)C)CC1=O
InChIInChI=1S/C12H22N2O2/c1-11(2,3)13-7-10(16)14(8-9(13)15)12(4,5)6/h7-8H2,1-6H3
InChIKeyGNSVHMBMVOMJBH-UHFFFAOYSA-N
XLogP1.25
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butylpiperazine-2,5-dione?
The IUPAC name of 1,4-ditert-butylpiperazine-2,5-dione (CID 5098792) is 1,4-ditert-butylpiperazine-2,5-dione.
What is the SMILES notation for 1,4-ditert-butylpiperazine-2,5-dione?
The canonical SMILES for 1,4-ditert-butylpiperazine-2,5-dione is CC(C)(C)N1CC(=O)N(C(C)(C)C)CC1=O.
What is the InChIKey of 1,4-ditert-butylpiperazine-2,5-dione?
The InChIKey is GNSVHMBMVOMJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-11(2,3)13-7-10(16)14(8-9(13)15)12(4,5)6/h7-8H2,1-6H3.
What are the key properties of 1,4-ditert-butylpiperazine-2,5-dione?
1,4-ditert-butylpiperazine-2,5-dione has a molecular weight of 226.32 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butylpiperazine-2,5-dione is sourced from PubChem (CID 5098792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).