1-(2,2-dimethylbutyl)-3-propan-2-ylpiperazine-2,5-dione

C13H24N2O2 — CID 103465478

IUPAC1-(2,2-dimethylbutyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCCC(C)(C)CN1CC(=O)NC(C(C)C)C1=O
InChIInChI=1S/C13H24N2O2/c1-6-13(4,5)8-15-7-10(16)14-11(9(2)3)12(15)17/h9,11H,6-8H2,1-5H3,(H,14,16)
InChIKeyFHISAUDQCHMBNC-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.41
Rot. Bonds4

About 1-(2,2-dimethylbutyl)-3-propan-2-ylpiperazine-2,5-dione

1-(2,2-dimethylbutyl)-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 103465478) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(2,2-dimethylbutyl)-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2,2-dimethylbutyl)-3-propan-2-ylpiperazine-2,5-dione
PubChem CID103465478
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(2,2-dimethylbutyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCCC(C)(C)CN1CC(=O)NC(C(C)C)C1=O
InChIInChI=1S/C13H24N2O2/c1-6-13(4,5)8-15-7-10(16)14-11(9(2)3)12(15)17/h9,11H,6-8H2,1-5H3,(H,14,16)
InChIKeyFHISAUDQCHMBNC-UHFFFAOYSA-N
XLogP1.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,2-dimethylbutyl)-3-propan-2-ylpiperazine-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 1-(2,2-dimethylbutyl)-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(2,2-dimethylbutyl)-3-propan-2-ylpiperazine-2,5-dione (CID 103465478) is 1-(2,2-dimethylbutyl)-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2,2-dimethylbutyl)-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(2,2-dimethylbutyl)-3-propan-2-ylpiperazine-2,5-dione is CCC(C)(C)CN1CC(=O)NC(C(C)C)C1=O.
What is the InChIKey of 1-(2,2-dimethylbutyl)-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is FHISAUDQCHMBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-6-13(4,5)8-15-7-10(16)14-11(9(2)3)12(15)17/h9,11H,6-8H2,1-5H3,(H,14,16).
What are the key properties of 1-(2,2-dimethylbutyl)-3-propan-2-ylpiperazine-2,5-dione?
1-(2,2-dimethylbutyl)-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 240.35 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylbutyl)-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 103465478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).