5-methyl-1-(4-phenylphenyl)-N-piperidin-4-yltriazole-4-carboxamide

C21H23N5O — CID 119388737

IUPAC5-methyl-1-(4-phenylphenyl)-N-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCNCC2)nnn1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H23N5O/c1-15-20(21(27)23-18-11-13-22-14-12-18)24-25-26(15)19-9-7-17(8-10-19)16-5-3-2-4-6-16/h2-10,18,22H,11-14H2,1H3,(H,23,27)
InChIKeyOWDZUVKKFWKQRI-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.72
Rot. Bonds4

About 5-methyl-1-(4-phenylphenyl)-N-piperidin-4-yltriazole-4-carboxamide

5-methyl-1-(4-phenylphenyl)-N-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119388737) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 5-methyl-1-(4-phenylphenyl)-N-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(4-phenylphenyl)-N-piperidin-4-yltriazole-4-carboxamide
PubChem CID119388737
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name5-methyl-1-(4-phenylphenyl)-N-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCNCC2)nnn1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H23N5O/c1-15-20(21(27)23-18-11-13-22-14-12-18)24-25-26(15)19-9-7-17(8-10-19)16-5-3-2-4-6-16/h2-10,18,22H,11-14H2,1H3,(H,23,27)
InChIKeyOWDZUVKKFWKQRI-UHFFFAOYSA-N
XLogP2.72
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide
CID 119603536
5-methyl-1-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)triazole-4-carboxamide
CID 55872567
N-cycloheptyl-1-(3,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 46858317
5-methyl-N-[(E)-pent-3-enyl]-1-(4-phenylphenyl)triazole-4-carboxamide
CID 86952801
[3-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone
CID 119491525
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-N-piperidin-3-yltriazole-4-carboxamide
CID 119424625
N-(4-aminocyclohexyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;hydrochloride
CID 119475250
1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]piperidine-4-carboxamide
CID 119125999
(2,3-dimethylpiperazin-1-yl)-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone
CID 120569446
(3R)-1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124697850
5-ethyl-N-piperidin-4-yl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide
CID 119390482
5-methyl-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-phenylphenyl)triazole-4-carboxamide
CID 155946723

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-phenylphenyl)-N-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of 5-methyl-1-(4-phenylphenyl)-N-piperidin-4-yltriazole-4-carboxamide (CID 119388737) is 5-methyl-1-(4-phenylphenyl)-N-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-(4-phenylphenyl)-N-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-(4-phenylphenyl)-N-piperidin-4-yltriazole-4-carboxamide is Cc1c(C(=O)NC2CCNCC2)nnn1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5-methyl-1-(4-phenylphenyl)-N-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is OWDZUVKKFWKQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-15-20(21(27)23-18-11-13-22-14-12-18)24-25-26(15)19-9-7-17(8-10-19)16-5-3-2-4-6-16/h2-10,18,22H,11-14H2,1H3,(H,23,27).
What are the key properties of 5-methyl-1-(4-phenylphenyl)-N-piperidin-4-yltriazole-4-carboxamide?
5-methyl-1-(4-phenylphenyl)-N-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-phenylphenyl)-N-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119388737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).