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

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Related Compounds

2-phenyl-N-(4-pyrrolidin-3-ylphenyl)triazole-4-carboxamide
CID 73426002
1-(2-Fluoro-benzyl)-1H-[1,2,3]triazole-4-carboxylic acid [2-(4-ethyl-piperazin-1-yl)-ethyl]-amide
CID 649632
1-Phenethyl-1H-[1,2,3]triazole-4-carboxylic acid 4-(2-oxo-pyrrolidin-1-yl)-benzylamide
CID 650744
N-(4-isopropylphenyl)-1-(1,2,5-thiadiazol-3-ylcarbonyl)-3-piperidinamine
CID 24816955
1-{[1-(cyclohexylmethyl)-1H-1,2,3-triazol-4-yl]carbonyl}-2-methyl-4-(4-methylphenyl)piperazine
CID 24818888
N-cyclopropyl-1-(2-{1-[(2'-methyl-3-biphenylyl)methyl]-2-piperidinyl}ethyl)-1H-1,2,3-triazole-4-carboxamide
CID 45244515
N-(1-cyclohexylpiperidin-4-yl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 127396636
(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-(4-phenyltriazol-1-yl)propanamide
CID 155542132
1-(4-methylphenyl)-N-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide
CID 162661301
N-[3-(cyclopropylcarbamoyl)phenyl]-2-phenyl-2H-1,2,3-triazole-4-carboxamide
CID 9465614
1-benzyl-N-phenyltriazole-4-carboxamide
CID 16063411
US11306078, Example 1.146
CID 141748934

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).