2-[(3-oxopiperazin-1-yl)methyl]-1-benzofuran-3-carboxylic acid

C14H14N2O4 — CID 62274294

IUPAC2-[(3-oxopiperazin-1-yl)methyl]-1-benzofuran-3-carboxylic acid
SMILESO=C1CN(Cc2oc3ccccc3c2C(=O)O)CCN1
InChIInChI=1S/C14H14N2O4/c17-12-8-16(6-5-15-12)7-11-13(14(18)19)9-3-1-2-4-10(9)20-11/h1-4H,5-8H2,(H,15,17)(H,18,19)
InChIKeyLBESSPDWFZXJEE-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.06
Rot. Bonds3

About 2-[(3-oxopiperazin-1-yl)methyl]-1-benzofuran-3-carboxylic acid

2-[(3-oxopiperazin-1-yl)methyl]-1-benzofuran-3-carboxylic acid (PubChem CID 62274294) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[(3-oxopiperazin-1-yl)methyl]-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-oxopiperazin-1-yl)methyl]-1-benzofuran-3-carboxylic acid
PubChem CID62274294
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name2-[(3-oxopiperazin-1-yl)methyl]-1-benzofuran-3-carboxylic acid
SMILESO=C1CN(Cc2oc3ccccc3c2C(=O)O)CCN1
InChIInChI=1S/C14H14N2O4/c17-12-8-16(6-5-15-12)7-11-13(14(18)19)9-3-1-2-4-10(9)20-11/h1-4H,5-8H2,(H,15,17)(H,18,19)
InChIKeyLBESSPDWFZXJEE-UHFFFAOYSA-N
XLogP1.06
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3-oxopiperazin-1-yl)methyl]-1-benzofuran-3-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 2-[(3-oxopiperazin-1-yl)methyl]-1-benzofuran-3-carboxylic acid?
The IUPAC name of 2-[(3-oxopiperazin-1-yl)methyl]-1-benzofuran-3-carboxylic acid (CID 62274294) is 2-[(3-oxopiperazin-1-yl)methyl]-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 2-[(3-oxopiperazin-1-yl)methyl]-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 2-[(3-oxopiperazin-1-yl)methyl]-1-benzofuran-3-carboxylic acid is O=C1CN(Cc2oc3ccccc3c2C(=O)O)CCN1.
What is the InChIKey of 2-[(3-oxopiperazin-1-yl)methyl]-1-benzofuran-3-carboxylic acid?
The InChIKey is LBESSPDWFZXJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c17-12-8-16(6-5-15-12)7-11-13(14(18)19)9-3-1-2-4-10(9)20-11/h1-4H,5-8H2,(H,15,17)(H,18,19).
What are the key properties of 2-[(3-oxopiperazin-1-yl)methyl]-1-benzofuran-3-carboxylic acid?
2-[(3-oxopiperazin-1-yl)methyl]-1-benzofuran-3-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-oxopiperazin-1-yl)methyl]-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 62274294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).