4-[2-(4-methylphenyl)-5-(piperidin-3-ylmethoxy)-3-pyridinyl]benzonitrile

C25H25N3O — CID 127026686

IUPAC4-[2-(4-methylphenyl)-5-(piperidin-3-ylmethoxy)-3-pyridinyl]benzonitrile
SMILESCc1ccc(-c2ncc(OCC3CCCNC3)cc2-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C25H25N3O/c1-18-4-8-22(9-5-18)25-24(21-10-6-19(14-26)7-11-21)13-23(16-28-25)29-17-20-3-2-12-27-15-20/h4-11,13,16,20,27H,2-3,12,15,17H2,1H3
InChIKeyBSFOXEJKCUSXRJ-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.97
Rot. Bonds5

About 4-[2-(4-methylphenyl)-5-(piperidin-3-ylmethoxy)-3-pyridinyl]benzonitrile

4-[2-(4-methylphenyl)-5-(piperidin-3-ylmethoxy)-3-pyridinyl]benzonitrile (PubChem CID 127026686) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is 4-[2-(4-methylphenyl)-5-(piperidin-3-ylmethoxy)-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[2-(4-methylphenyl)-5-(piperidin-3-ylmethoxy)-3-pyridinyl]benzonitrile
PubChem CID127026686
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name4-[2-(4-methylphenyl)-5-(piperidin-3-ylmethoxy)-3-pyridinyl]benzonitrile
SMILESCc1ccc(-c2ncc(OCC3CCCNC3)cc2-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C25H25N3O/c1-18-4-8-22(9-5-18)25-24(21-10-6-19(14-26)7-11-21)13-23(16-28-25)29-17-20-3-2-12-27-15-20/h4-11,13,16,20,27H,2-3,12,15,17H2,1H3
InChIKeyBSFOXEJKCUSXRJ-UHFFFAOYSA-N
XLogP4.97
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-(4-methylphenyl)-5-(piperidin-3-ylmethoxy)-3-pyridinyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pilavapadin
CID 118419773
Aqw-051
CID 50914822
3-[(2S)-2-amino-3,3-diphenylpropoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10287639
3-[(2S)-2-amino-3-(naphthalen-2-yl)propoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10309398
6-{5-[(2S)-2-amino-3-cyclohexylpropoxy]pyridin-3-yl}isoquinoline
CID 23647001
(R)-4-(5-(Pyrrolidin-3-ylmethoxy)-2-(p-tolyl)pyridin-3-yl)benzonitrile
CID 72793898
(R)-4-(3-(4-((3-Fluorophenyl)(hydroxy)(pyridin-2-yl)methyl)piperidin-1-yl)propoxy)benzonitrile
CID 71777738
3-((S)-1-Azetidin-2-ylmethoxy)-5-phenyl-pyridine
CID 22872635
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-p-tolyl-pyridine
CID 44372094
7-(5-Propan-2-yloxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57485797
7-(5-Phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57485799
US10155760, Example 15
CID 118420229

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylphenyl)-5-(piperidin-3-ylmethoxy)-3-pyridinyl]benzonitrile?
The IUPAC name of 4-[2-(4-methylphenyl)-5-(piperidin-3-ylmethoxy)-3-pyridinyl]benzonitrile (CID 127026686) is 4-[2-(4-methylphenyl)-5-(piperidin-3-ylmethoxy)-3-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[2-(4-methylphenyl)-5-(piperidin-3-ylmethoxy)-3-pyridinyl]benzonitrile?
The canonical SMILES for 4-[2-(4-methylphenyl)-5-(piperidin-3-ylmethoxy)-3-pyridinyl]benzonitrile is Cc1ccc(-c2ncc(OCC3CCCNC3)cc2-c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[2-(4-methylphenyl)-5-(piperidin-3-ylmethoxy)-3-pyridinyl]benzonitrile?
The InChIKey is BSFOXEJKCUSXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-18-4-8-22(9-5-18)25-24(21-10-6-19(14-26)7-11-21)13-23(16-28-25)29-17-20-3-2-12-27-15-20/h4-11,13,16,20,27H,2-3,12,15,17H2,1H3.
What are the key properties of 4-[2-(4-methylphenyl)-5-(piperidin-3-ylmethoxy)-3-pyridinyl]benzonitrile?
4-[2-(4-methylphenyl)-5-(piperidin-3-ylmethoxy)-3-pyridinyl]benzonitrile has a molecular weight of 383.50 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylphenyl)-5-(piperidin-3-ylmethoxy)-3-pyridinyl]benzonitrile is sourced from PubChem (CID 127026686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).