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

C19H24F3N5O2 — CID 42328322

IUPACN-(2-hydroxyethyl)-N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]triazole-4-carboxamide
SMILESCN(CCO)C(=O)c1cn(C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)nn1
InChIInChI=1S/C19H24F3N5O2/c1-25(9-10-28)18(29)17-13-27(24-23-17)16-5-7-26(8-6-16)12-14-3-2-4-15(11-14)19(20,21)22/h2-4,11,13,16,28H,5-10,12H2,1H3
InChIKeyUBWNPVAEQBNRMQ-UHFFFAOYSA-N
MW411.43 g/mol
LogP2.20
Rot. Bonds6

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

N-(2-hydroxyethyl)-N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]triazole-4-carboxamide (PubChem CID 42328322) 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-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]triazole-4-carboxamide
PubChem CID42328322
Molecular FormulaC19H24F3N5O2
Molecular Weight411.43 g/mol
Exact Mass411.19
IUPAC NameN-(2-hydroxyethyl)-N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]triazole-4-carboxamide
SMILESCN(CCO)C(=O)c1cn(C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)nn1
InChIInChI=1S/C19H24F3N5O2/c1-25(9-10-28)18(29)17-13-27(24-23-17)16-5-7-26(8-6-16)12-14-3-2-4-15(11-14)19(20,21)22/h2-4,11,13,16,28H,5-10,12H2,1H3
InChIKeyUBWNPVAEQBNRMQ-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

N-(2-hydroxyethyl)-N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45167198
N-(2-hydroxyethyl)-N-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]triazole-4-carboxamide
CID 42376577
N-methyl-N-(4-morpholin-4-ylbutyl)-1-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 28731341
N-(2-hydroxyethyl)-N-methyl-1-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]triazole-4-carboxamide
CID 45166954
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,1,5-trimethyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyrazole-3-carboxamide
CID 172892283
1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 18093901
N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 25278674
piperidin-1-yl-[1-[1-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-yl]triazol-4-yl]methanone
CID 42238220
1-[(4-chlorophenyl)methyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 42160017
N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119771408

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]triazole-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]triazole-4-carboxamide (CID 42328322) is N-(2-hydroxyethyl)-N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]triazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]triazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]triazole-4-carboxamide is CN(CCO)C(=O)c1cn(C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)nn1.
What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]triazole-4-carboxamide?
The InChIKey is UBWNPVAEQBNRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N5O2/c1-25(9-10-28)18(29)17-13-27(24-23-17)16-5-7-26(8-6-16)12-14-3-2-4-15(11-14)19(20,21)22/h2-4,11,13,16,28H,5-10,12H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]triazole-4-carboxamide?
N-(2-hydroxyethyl)-N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-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-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]triazole-4-carboxamide is sourced from PubChem (CID 42328322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).