N-(2-hydroxyethyl)-N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide

C19H24F3N5O2 — CID 45167198

IUPACN-(2-hydroxyethyl)-N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide
SMILESCN(CCO)C(=O)c1cn(C2CCCN(Cc3ccc(C(F)(F)F)cc3)C2)nn1
InChIInChI=1S/C19H24F3N5O2/c1-25(9-10-28)18(29)17-13-27(24-23-17)16-3-2-8-26(12-16)11-14-4-6-15(7-5-14)19(20,21)22/h4-7,13,16,28H,2-3,8-12H2,1H3
InChIKeyQAGAOYKBPJMQET-UHFFFAOYSA-N
MW411.43 g/mol
LogP2.20
Rot. Bonds6

About N-(2-hydroxyethyl)-N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide

N-(2-hydroxyethyl)-N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide (PubChem CID 45167198) has the molecular formula C19H24F3N5O2 and a molecular weight of 411.43 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide
PubChem CID45167198
Molecular FormulaC19H24F3N5O2
Molecular Weight411.43 g/mol
Exact Mass411.19
IUPAC NameN-(2-hydroxyethyl)-N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide
SMILESCN(CCO)C(=O)c1cn(C2CCCN(Cc3ccc(C(F)(F)F)cc3)C2)nn1
InChIInChI=1S/C19H24F3N5O2/c1-25(9-10-28)18(29)17-13-27(24-23-17)16-3-2-8-26(12-16)11-14-4-6-15(7-5-14)19(20,21)22/h4-7,13,16,28H,2-3,8-12H2,1H3
InChIKeyQAGAOYKBPJMQET-UHFFFAOYSA-N
XLogP2.20
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]-N-(2-hydroxyethyl)-N-methyltriazole-4-carboxamide
CID 45227883
1-[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]-N-(2-hydroxyethyl)-N-methyltriazole-4-carboxamide
CID 42471628
N-(2-hydroxyethyl)-N-methyl-1-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]triazole-4-carboxamide
CID 45166954
N-(2-hydroxyethyl)-N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]triazole-4-carboxamide
CID 42328322
1-[(3R)-1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-N-(2-hydroxyethyl)-N-methyltriazole-4-carboxamide
CID 42397607
N-(3-hydroxypropyl)-1-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 26343328
N-(3-hydroxypropyl)-1-[(3S)-1-[(4-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 26343330
1-[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide
CID 26354413
methyl 4-[[3-[4-(diethylcarbamoyl)triazol-1-yl]piperidin-1-yl]methyl]benzoate
CID 45244526
1-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide
CID 45234972
N-(3-hydroxypropyl)-1-[(3S)-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 28811962
N-(2-hydroxyethyl)-1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45230197

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide (CID 45167198) is N-(2-hydroxyethyl)-N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide is CN(CCO)C(=O)c1cn(C2CCCN(Cc3ccc(C(F)(F)F)cc3)C2)nn1.
What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide?
The InChIKey is QAGAOYKBPJMQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N5O2/c1-25(9-10-28)18(29)17-13-27(24-23-17)16-3-2-8-26(12-16)11-14-4-6-15(7-5-14)19(20,21)22/h4-7,13,16,28H,2-3,8-12H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide?
N-(2-hydroxyethyl)-N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide has a molecular weight of 411.43 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide is sourced from PubChem (CID 45167198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).