ditert-butyl 2,5-dioxopiperazine-1,4-dicarboxylate

C14H22N2O6 — CID 10870735

IUPACditert-butyl 2,5-dioxopiperazine-1,4-dicarboxylate
SMILESCC(C)(C)OC(=O)N1CC(=O)N(C(=O)OC(C)(C)C)CC1=O
InChIInChI=1S/C14H22N2O6/c1-13(2,3)21-11(19)15-7-10(18)16(8-9(15)17)12(20)22-14(4,5)6/h7-8H2,1-6H3
InChIKeyQJAAEKPQDIULET-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.53
Rot. Bonds

About ditert-butyl 2,5-dioxopiperazine-1,4-dicarboxylate

ditert-butyl 2,5-dioxopiperazine-1,4-dicarboxylate (PubChem CID 10870735) has the molecular formula C14H22N2O6 and a molecular weight of 314.34 g/mol. Its IUPAC name is ditert-butyl 2,5-dioxopiperazine-1,4-dicarboxylate.

Molecular Properties

Compound Nameditert-butyl 2,5-dioxopiperazine-1,4-dicarboxylate
PubChem CID10870735
Molecular FormulaC14H22N2O6
Molecular Weight314.34 g/mol
Exact Mass314.15
IUPAC Nameditert-butyl 2,5-dioxopiperazine-1,4-dicarboxylate
SMILESCC(C)(C)OC(=O)N1CC(=O)N(C(=O)OC(C)(C)C)CC1=O
InChIInChI=1S/C14H22N2O6/c1-13(2,3)21-11(19)15-7-10(18)16(8-9(15)17)12(20)22-14(4,5)6/h7-8H2,1-6H3
InChIKeyQJAAEKPQDIULET-UHFFFAOYSA-N
XLogP1.53
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ditert-butyl 2,5-dioxopiperazine-1,4-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ditert-butyl 2,5-dioxopiperazine-1,4-dicarboxylate?
The IUPAC name of ditert-butyl 2,5-dioxopiperazine-1,4-dicarboxylate (CID 10870735) is ditert-butyl 2,5-dioxopiperazine-1,4-dicarboxylate.
What is the SMILES notation for ditert-butyl 2,5-dioxopiperazine-1,4-dicarboxylate?
The canonical SMILES for ditert-butyl 2,5-dioxopiperazine-1,4-dicarboxylate is CC(C)(C)OC(=O)N1CC(=O)N(C(=O)OC(C)(C)C)CC1=O.
What is the InChIKey of ditert-butyl 2,5-dioxopiperazine-1,4-dicarboxylate?
The InChIKey is QJAAEKPQDIULET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O6/c1-13(2,3)21-11(19)15-7-10(18)16(8-9(15)17)12(20)22-14(4,5)6/h7-8H2,1-6H3.
What are the key properties of ditert-butyl 2,5-dioxopiperazine-1,4-dicarboxylate?
ditert-butyl 2,5-dioxopiperazine-1,4-dicarboxylate has a molecular weight of 314.34 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl 2,5-dioxopiperazine-1,4-dicarboxylate is sourced from PubChem (CID 10870735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).