4-[2-(2-piperidin-1-ylethyl)-1-benzofuran-5-yl]benzonitrile

C22H22N2O — CID 10471844

IUPAC4-[2-(2-piperidin-1-ylethyl)-1-benzofuran-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc3oc(CCN4CCCCC4)cc3c2)cc1
InChIInChI=1S/C22H22N2O/c23-16-17-4-6-18(7-5-17)19-8-9-22-20(14-19)15-21(25-22)10-13-24-11-2-1-3-12-24/h4-9,14-15H,1-3,10-13H2
InChIKeyCKFMMVLRYYANSV-UHFFFAOYSA-N
MW330.43 g/mol
LogP5.00
Rot. Bonds4

About 4-[2-(2-piperidin-1-ylethyl)-1-benzofuran-5-yl]benzonitrile

4-[2-(2-piperidin-1-ylethyl)-1-benzofuran-5-yl]benzonitrile (PubChem CID 10471844) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-[2-(2-piperidin-1-ylethyl)-1-benzofuran-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-(2-piperidin-1-ylethyl)-1-benzofuran-5-yl]benzonitrile
PubChem CID10471844
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name4-[2-(2-piperidin-1-ylethyl)-1-benzofuran-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc3oc(CCN4CCCCC4)cc3c2)cc1
InChIInChI=1S/C22H22N2O/c23-16-17-4-6-18(7-5-17)19-8-9-22-20(14-19)15-21(25-22)10-13-24-11-2-1-3-12-24/h4-9,14-15H,1-3,10-13H2
InChIKeyCKFMMVLRYYANSV-UHFFFAOYSA-N
XLogP5.00
TPSA40.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-piperidin-1-ylethyl)-1-benzofuran-5-yl]benzonitrile?
The IUPAC name of 4-[2-(2-piperidin-1-ylethyl)-1-benzofuran-5-yl]benzonitrile (CID 10471844) is 4-[2-(2-piperidin-1-ylethyl)-1-benzofuran-5-yl]benzonitrile.
What is the SMILES notation for 4-[2-(2-piperidin-1-ylethyl)-1-benzofuran-5-yl]benzonitrile?
The canonical SMILES for 4-[2-(2-piperidin-1-ylethyl)-1-benzofuran-5-yl]benzonitrile is N#Cc1ccc(-c2ccc3oc(CCN4CCCCC4)cc3c2)cc1.
What is the InChIKey of 4-[2-(2-piperidin-1-ylethyl)-1-benzofuran-5-yl]benzonitrile?
The InChIKey is CKFMMVLRYYANSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c23-16-17-4-6-18(7-5-17)19-8-9-22-20(14-19)15-21(25-22)10-13-24-11-2-1-3-12-24/h4-9,14-15H,1-3,10-13H2.
What are the key properties of 4-[2-(2-piperidin-1-ylethyl)-1-benzofuran-5-yl]benzonitrile?
4-[2-(2-piperidin-1-ylethyl)-1-benzofuran-5-yl]benzonitrile has a molecular weight of 330.43 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-piperidin-1-ylethyl)-1-benzofuran-5-yl]benzonitrile is sourced from PubChem (CID 10471844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).