7-piperazin-1-yl-1-benzofuran-6-carbonitrile

C13H13N3O — CID 10242839

IUPAC7-piperazin-1-yl-1-benzofuran-6-carbonitrile
SMILESN#Cc1ccc2ccoc2c1N1CCNCC1
InChIInChI=1S/C13H13N3O/c14-9-11-2-1-10-3-8-17-13(10)12(11)16-6-4-15-5-7-16/h1-3,8,15H,4-7H2
InChIKeyKCCAOGJTUVSJOJ-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.71
Rot. Bonds1

About 7-piperazin-1-yl-1-benzofuran-6-carbonitrile

7-piperazin-1-yl-1-benzofuran-6-carbonitrile (PubChem CID 10242839) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 7-piperazin-1-yl-1-benzofuran-6-carbonitrile.

Molecular Properties

Compound Name7-piperazin-1-yl-1-benzofuran-6-carbonitrile
PubChem CID10242839
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name7-piperazin-1-yl-1-benzofuran-6-carbonitrile
SMILESN#Cc1ccc2ccoc2c1N1CCNCC1
InChIInChI=1S/C13H13N3O/c14-9-11-2-1-10-3-8-17-13(10)12(11)16-6-4-15-5-7-16/h1-3,8,15H,4-7H2
InChIKeyKCCAOGJTUVSJOJ-UHFFFAOYSA-N
XLogP1.71
TPSA52.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-piperazin-1-yl-1-benzofuran-6-carbonitrile 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 7-piperazin-1-yl-1-benzofuran-6-carbonitrile?
The IUPAC name of 7-piperazin-1-yl-1-benzofuran-6-carbonitrile (CID 10242839) is 7-piperazin-1-yl-1-benzofuran-6-carbonitrile.
What is the SMILES notation for 7-piperazin-1-yl-1-benzofuran-6-carbonitrile?
The canonical SMILES for 7-piperazin-1-yl-1-benzofuran-6-carbonitrile is N#Cc1ccc2ccoc2c1N1CCNCC1.
What is the InChIKey of 7-piperazin-1-yl-1-benzofuran-6-carbonitrile?
The InChIKey is KCCAOGJTUVSJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c14-9-11-2-1-10-3-8-17-13(10)12(11)16-6-4-15-5-7-16/h1-3,8,15H,4-7H2.
What are the key properties of 7-piperazin-1-yl-1-benzofuran-6-carbonitrile?
7-piperazin-1-yl-1-benzofuran-6-carbonitrile has a molecular weight of 227.27 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperazin-1-yl-1-benzofuran-6-carbonitrile is sourced from PubChem (CID 10242839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).