2-phenyl-N-(4-piperidin-3-ylphenyl)triazole-4-carboxamide

C20H21N5O — CID 73426003

IUPAC2-phenyl-N-(4-piperidin-3-ylphenyl)triazole-4-carboxamide
SMILESO=C(Nc1ccc(C2CCCNC2)cc1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C20H21N5O/c26-20(19-14-22-25(24-19)18-6-2-1-3-7-18)23-17-10-8-15(9-11-17)16-5-4-12-21-13-16/h1-3,6-11,14,16,21H,4-5,12-13H2,(H,23,26)
InChIKeyWOUFBCUIGRPMDM-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.99
Rot. Bonds4

About 2-phenyl-N-(4-piperidin-3-ylphenyl)triazole-4-carboxamide

2-phenyl-N-(4-piperidin-3-ylphenyl)triazole-4-carboxamide (PubChem CID 73426003) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-phenyl-N-(4-piperidin-3-ylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(4-piperidin-3-ylphenyl)triazole-4-carboxamide
PubChem CID73426003
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name2-phenyl-N-(4-piperidin-3-ylphenyl)triazole-4-carboxamide
SMILESO=C(Nc1ccc(C2CCCNC2)cc1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C20H21N5O/c26-20(19-14-22-25(24-19)18-6-2-1-3-7-18)23-17-10-8-15(9-11-17)16-5-4-12-21-13-16/h1-3,6-11,14,16,21H,4-5,12-13H2,(H,23,26)
InChIKeyWOUFBCUIGRPMDM-UHFFFAOYSA-N
XLogP2.99
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-phenyl-N-(4-piperidin-3-ylphenyl)triazole-4-carboxamide 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-phenyl-N-(4-piperidin-3-ylphenyl)triazole-4-carboxamide?
The IUPAC name of 2-phenyl-N-(4-piperidin-3-ylphenyl)triazole-4-carboxamide (CID 73426003) is 2-phenyl-N-(4-piperidin-3-ylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-(4-piperidin-3-ylphenyl)triazole-4-carboxamide?
The canonical SMILES for 2-phenyl-N-(4-piperidin-3-ylphenyl)triazole-4-carboxamide is O=C(Nc1ccc(C2CCCNC2)cc1)c1cnn(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-N-(4-piperidin-3-ylphenyl)triazole-4-carboxamide?
The InChIKey is WOUFBCUIGRPMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c26-20(19-14-22-25(24-19)18-6-2-1-3-7-18)23-17-10-8-15(9-11-17)16-5-4-12-21-13-16/h1-3,6-11,14,16,21H,4-5,12-13H2,(H,23,26).
What are the key properties of 2-phenyl-N-(4-piperidin-3-ylphenyl)triazole-4-carboxamide?
2-phenyl-N-(4-piperidin-3-ylphenyl)triazole-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(4-piperidin-3-ylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 73426003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).