1-butyl-3-propylpiperazine-2,5-dione

C11H20N2O2 — CID 64879982

IUPAC1-butyl-3-propylpiperazine-2,5-dione
SMILESCCCCN1CC(=O)NC(CCC)C1=O
InChIInChI=1S/C11H20N2O2/c1-3-5-7-13-8-10(14)12-9(6-4-2)11(13)15/h9H,3-8H2,1-2H3,(H,12,14)
InChIKeyZSWBYPFZRWDCMR-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.91
Rot. Bonds5

About 1-butyl-3-propylpiperazine-2,5-dione

1-butyl-3-propylpiperazine-2,5-dione (PubChem CID 64879982) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-butyl-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-butyl-3-propylpiperazine-2,5-dione
PubChem CID64879982
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-butyl-3-propylpiperazine-2,5-dione
SMILESCCCCN1CC(=O)NC(CCC)C1=O
InChIInChI=1S/C11H20N2O2/c1-3-5-7-13-8-10(14)12-9(6-4-2)11(13)15/h9H,3-8H2,1-2H3,(H,12,14)
InChIKeyZSWBYPFZRWDCMR-UHFFFAOYSA-N
XLogP0.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-butyl-3-propylpiperazine-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-butyl-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-butyl-3-propylpiperazine-2,5-dione (CID 64879982) is 1-butyl-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-butyl-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-butyl-3-propylpiperazine-2,5-dione is CCCCN1CC(=O)NC(CCC)C1=O.
What is the InChIKey of 1-butyl-3-propylpiperazine-2,5-dione?
The InChIKey is ZSWBYPFZRWDCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-5-7-13-8-10(14)12-9(6-4-2)11(13)15/h9H,3-8H2,1-2H3,(H,12,14).
What are the key properties of 1-butyl-3-propylpiperazine-2,5-dione?
1-butyl-3-propylpiperazine-2,5-dione has a molecular weight of 212.29 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64879982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).