3,6-di(butan-2-yl)piperazine-2,5-dione

C12H22N2O2 — CID 3252652

IUPAC3,6-di(butan-2-yl)piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(C(C)CC)NC1=O
InChIInChI=1S/C12H22N2O2/c1-5-7(3)9-11(15)14-10(8(4)6-2)12(16)13-9/h7-10H,5-6H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyZRLVJNQOEORYIS-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.06
Rot. Bonds4

About 3,6-di(butan-2-yl)piperazine-2,5-dione

3,6-di(butan-2-yl)piperazine-2,5-dione (PubChem CID 3252652) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3,6-di(butan-2-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-di(butan-2-yl)piperazine-2,5-dione
PubChem CID3252652
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3,6-di(butan-2-yl)piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(C(C)CC)NC1=O
InChIInChI=1S/C12H22N2O2/c1-5-7(3)9-11(15)14-10(8(4)6-2)12(16)13-9/h7-10H,5-6H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyZRLVJNQOEORYIS-UHFFFAOYSA-N
XLogP1.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,6-di(butan-2-yl)piperazine-2,5-dione 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 3,6-di(butan-2-yl)piperazine-2,5-dione?
The IUPAC name of 3,6-di(butan-2-yl)piperazine-2,5-dione (CID 3252652) is 3,6-di(butan-2-yl)piperazine-2,5-dione.
What is the SMILES notation for 3,6-di(butan-2-yl)piperazine-2,5-dione?
The canonical SMILES for 3,6-di(butan-2-yl)piperazine-2,5-dione is CCC(C)C1NC(=O)C(C(C)CC)NC1=O.
What is the InChIKey of 3,6-di(butan-2-yl)piperazine-2,5-dione?
The InChIKey is ZRLVJNQOEORYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-5-7(3)9-11(15)14-10(8(4)6-2)12(16)13-9/h7-10H,5-6H2,1-4H3,(H,13,16)(H,14,15).
What are the key properties of 3,6-di(butan-2-yl)piperazine-2,5-dione?
3,6-di(butan-2-yl)piperazine-2,5-dione has a molecular weight of 226.32 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(butan-2-yl)piperazine-2,5-dione is sourced from PubChem (CID 3252652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).