5-piperazin-1-ylfuran-2-carboxylic acid

C9H12N2O3 — CID 55210586

IUPAC5-piperazin-1-ylfuran-2-carboxylic acid
SMILESO=C(O)c1ccc(N2CCNCC2)o1
InChIInChI=1S/C9H12N2O3/c12-9(13)7-1-2-8(14-7)11-5-3-10-4-6-11/h1-2,10H,3-6H2,(H,12,13)
InChIKeyMGWREPPFYMPHBK-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.39
Rot. Bonds2

About 5-piperazin-1-ylfuran-2-carboxylic acid

5-piperazin-1-ylfuran-2-carboxylic acid (PubChem CID 55210586) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-piperazin-1-ylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-piperazin-1-ylfuran-2-carboxylic acid
PubChem CID55210586
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name5-piperazin-1-ylfuran-2-carboxylic acid
SMILESO=C(O)c1ccc(N2CCNCC2)o1
InChIInChI=1S/C9H12N2O3/c12-9(13)7-1-2-8(14-7)11-5-3-10-4-6-11/h1-2,10H,3-6H2,(H,12,13)
InChIKeyMGWREPPFYMPHBK-UHFFFAOYSA-N
XLogP0.39
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-piperazin-1-ylfuran-2-carboxylic acid?
The IUPAC name of 5-piperazin-1-ylfuran-2-carboxylic acid (CID 55210586) is 5-piperazin-1-ylfuran-2-carboxylic acid.
What is the SMILES notation for 5-piperazin-1-ylfuran-2-carboxylic acid?
The canonical SMILES for 5-piperazin-1-ylfuran-2-carboxylic acid is O=C(O)c1ccc(N2CCNCC2)o1.
What is the InChIKey of 5-piperazin-1-ylfuran-2-carboxylic acid?
The InChIKey is MGWREPPFYMPHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c12-9(13)7-1-2-8(14-7)11-5-3-10-4-6-11/h1-2,10H,3-6H2,(H,12,13).
What are the key properties of 5-piperazin-1-ylfuran-2-carboxylic acid?
5-piperazin-1-ylfuran-2-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperazin-1-ylfuran-2-carboxylic acid is sourced from PubChem (CID 55210586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).