3-tert-butyl-1-(2-methylpentan-2-yl)piperazine-2,5-dione

C14H26N2O2 — CID 113472047

IUPAC3-tert-butyl-1-(2-methylpentan-2-yl)piperazine-2,5-dione
SMILESCCCC(C)(C)N1CC(=O)NC(C(C)(C)C)C1=O
InChIInChI=1S/C14H26N2O2/c1-7-8-14(5,6)16-9-10(17)15-11(12(16)18)13(2,3)4/h11H,7-9H2,1-6H3,(H,15,17)
InChIKeyZMKVHIKYIVSGGU-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.94
Rot. Bonds3

About 3-tert-butyl-1-(2-methylpentan-2-yl)piperazine-2,5-dione

3-tert-butyl-1-(2-methylpentan-2-yl)piperazine-2,5-dione (PubChem CID 113472047) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-tert-butyl-1-(2-methylpentan-2-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-1-(2-methylpentan-2-yl)piperazine-2,5-dione
PubChem CID113472047
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-tert-butyl-1-(2-methylpentan-2-yl)piperazine-2,5-dione
SMILESCCCC(C)(C)N1CC(=O)NC(C(C)(C)C)C1=O
InChIInChI=1S/C14H26N2O2/c1-7-8-14(5,6)16-9-10(17)15-11(12(16)18)13(2,3)4/h11H,7-9H2,1-6H3,(H,15,17)
InChIKeyZMKVHIKYIVSGGU-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(2-methylpentan-2-yl)piperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-1-(2-methylpentan-2-yl)piperazine-2,5-dione (CID 113472047) is 3-tert-butyl-1-(2-methylpentan-2-yl)piperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-1-(2-methylpentan-2-yl)piperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-1-(2-methylpentan-2-yl)piperazine-2,5-dione is CCCC(C)(C)N1CC(=O)NC(C(C)(C)C)C1=O.
What is the InChIKey of 3-tert-butyl-1-(2-methylpentan-2-yl)piperazine-2,5-dione?
The InChIKey is ZMKVHIKYIVSGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-7-8-14(5,6)16-9-10(17)15-11(12(16)18)13(2,3)4/h11H,7-9H2,1-6H3,(H,15,17).
What are the key properties of 3-tert-butyl-1-(2-methylpentan-2-yl)piperazine-2,5-dione?
3-tert-butyl-1-(2-methylpentan-2-yl)piperazine-2,5-dione has a molecular weight of 254.37 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(2-methylpentan-2-yl)piperazine-2,5-dione is sourced from PubChem (CID 113472047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).