1-(2,5-dimethylfuran-3-carbonyl)piperidine-4-carboxylic acid

C13H17NO4 — CID 2813437

IUPAC1-(2,5-dimethylfuran-3-carbonyl)piperidine-4-carboxylic acid
SMILESCc1cc(C(=O)N2CCC(C(=O)O)CC2)c(C)o1
InChIInChI=1S/C13H17NO4/c1-8-7-11(9(2)18-8)12(15)14-5-3-10(4-6-14)13(16)17/h7,10H,3-6H2,1-2H3,(H,16,17)
InChIKeyJFYLPHDCCLBCNO-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.83
Rot. Bonds2

About 1-(2,5-dimethylfuran-3-carbonyl)piperidine-4-carboxylic acid

1-(2,5-dimethylfuran-3-carbonyl)piperidine-4-carboxylic acid (PubChem CID 2813437) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-carbonyl)piperidine-4-carboxylic acid
PubChem CID2813437
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name1-(2,5-dimethylfuran-3-carbonyl)piperidine-4-carboxylic acid
SMILESCc1cc(C(=O)N2CCC(C(=O)O)CC2)c(C)o1
InChIInChI=1S/C13H17NO4/c1-8-7-11(9(2)18-8)12(15)14-5-3-10(4-6-14)13(16)17/h7,10H,3-6H2,1-2H3,(H,16,17)
InChIKeyJFYLPHDCCLBCNO-UHFFFAOYSA-N
XLogP1.83
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dimethylfuran-3-carbonyl)piperidine-4-carboxylic acid 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-(2,5-dimethylfuran-3-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2,5-dimethylfuran-3-carbonyl)piperidine-4-carboxylic acid (CID 2813437) is 1-(2,5-dimethylfuran-3-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2,5-dimethylfuran-3-carbonyl)piperidine-4-carboxylic acid is Cc1cc(C(=O)N2CCC(C(=O)O)CC2)c(C)o1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is JFYLPHDCCLBCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-8-7-11(9(2)18-8)12(15)14-5-3-10(4-6-14)13(16)17/h7,10H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 1-(2,5-dimethylfuran-3-carbonyl)piperidine-4-carboxylic acid?
1-(2,5-dimethylfuran-3-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 251.28 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 2813437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).