(2,5-dimethylfuran-3-yl)-piperazin-1-ylmethanone

C11H16N2O2 — CID 16786053

IUPAC(2,5-dimethylfuran-3-yl)-piperazin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCNCC2)c(C)o1
InChIInChI=1S/C11H16N2O2/c1-8-7-10(9(2)15-8)11(14)13-5-3-12-4-6-13/h7,12H,3-6H2,1-2H3
InChIKeyYQWMOQGTIGAWIU-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.94
Rot. Bonds1

About (2,5-dimethylfuran-3-yl)-piperazin-1-ylmethanone

(2,5-dimethylfuran-3-yl)-piperazin-1-ylmethanone (PubChem CID 16786053) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-piperazin-1-ylmethanone
PubChem CID16786053
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(2,5-dimethylfuran-3-yl)-piperazin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCNCC2)c(C)o1
InChIInChI=1S/C11H16N2O2/c1-8-7-10(9(2)15-8)11(14)13-5-3-12-4-6-13/h7,12H,3-6H2,1-2H3
InChIKeyYQWMOQGTIGAWIU-UHFFFAOYSA-N
XLogP0.94
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2,5-dimethylfuran-3-yl)-piperazin-1-ylmethanone 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 (2,5-dimethylfuran-3-yl)-piperazin-1-ylmethanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-piperazin-1-ylmethanone (CID 16786053) is (2,5-dimethylfuran-3-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-piperazin-1-ylmethanone is Cc1cc(C(=O)N2CCNCC2)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-piperazin-1-ylmethanone?
The InChIKey is YQWMOQGTIGAWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-7-10(9(2)15-8)11(14)13-5-3-12-4-6-13/h7,12H,3-6H2,1-2H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-piperazin-1-ylmethanone?
(2,5-dimethylfuran-3-yl)-piperazin-1-ylmethanone has a molecular weight of 208.26 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 16786053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).