N-(2,2-diphenylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

C23H27N5O — CID 119688023

IUPACN-(2,2-diphenylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NCC(c2ccccc2)c2ccccc2)nnn1C1CCNCC1
InChIInChI=1S/C23H27N5O/c1-17-22(26-27-28(17)20-12-14-24-15-13-20)23(29)25-16-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,20-21,24H,12-16H2,1H3,(H,25,29)
InChIKeyWJNFQNNYHWIJON-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.07
Rot. Bonds6

About N-(2,2-diphenylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

N-(2,2-diphenylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119688023) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119688023
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC NameN-(2,2-diphenylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NCC(c2ccccc2)c2ccccc2)nnn1C1CCNCC1
InChIInChI=1S/C23H27N5O/c1-17-22(26-27-28(17)20-12-14-24-15-13-20)23(29)25-16-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,20-21,24H,12-16H2,1H3,(H,25,29)
InChIKeyWJNFQNNYHWIJON-UHFFFAOYSA-N
XLogP3.07
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)amino]-2-phenylpropanoate
CID 119805444
N-[2-(diethylamino)-2-phenylethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119399163
5-methyl-N-(2-phenylsulfanylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119691404
5-methyl-N-(2-methyl-3-phenylmethoxypropyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119750635
N-(2-hydroxy-2-naphthalen-2-ylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119708285
5-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119851514
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119850392
5-methyl-1-piperidin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119725262
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119691733
N-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119731690
N-[2-(2-chlorophenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119705388
5-methyl-N-(2-methyl-2-phenylpentan-3-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119801261

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(2,2-diphenylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (CID 119688023) is N-(2,2-diphenylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(2,2-diphenylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(2,2-diphenylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is Cc1c(C(=O)NCC(c2ccccc2)c2ccccc2)nnn1C1CCNCC1.
What is the InChIKey of N-(2,2-diphenylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is WJNFQNNYHWIJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-17-22(26-27-28(17)20-12-14-24-15-13-20)23(29)25-16-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,20-21,24H,12-16H2,1H3,(H,25,29).
What are the key properties of N-(2,2-diphenylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
N-(2,2-diphenylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119688023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).