1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

C19H18F3N5O — CID 53203046

IUPAC1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(c2nnc3ccccn23)CC1
InChIInChI=1S/C19H18F3N5O/c20-19(21,22)14-4-6-15(7-5-14)23-17(28)13-8-11-26(12-9-13)18-25-24-16-3-1-2-10-27(16)18/h1-7,10,13H,8-9,11-12H2,(H,23,28)
InChIKeyDAHPAQUHCCHHGJ-UHFFFAOYSA-N
MW389.38 g/mol
LogP3.60
Rot. Bonds3

About 1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 53203046) has the molecular formula C19H18F3N5O and a molecular weight of 389.38 g/mol. Its IUPAC name is 1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID53203046
Molecular FormulaC19H18F3N5O
Molecular Weight389.38 g/mol
Exact Mass389.15
IUPAC Name1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(c2nnc3ccccn23)CC1
InChIInChI=1S/C19H18F3N5O/c20-19(21,22)14-4-6-15(7-5-14)23-17(28)13-8-11-26(12-9-13)18-25-24-16-3-1-2-10-27(16)18/h1-7,10,13H,8-9,11-12H2,(H,23,28)
InChIKeyDAHPAQUHCCHHGJ-UHFFFAOYSA-N
XLogP3.60
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
CID 53203022
(3R)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 95114600
N-(cyclohexylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
CID 53203059
1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 53203104
1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 53203178
N-[3-(N-methylanilino)propyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
CID 83273982
1-(2-ethylbutanoyl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 113007804
N-(4-phenylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 46599278
N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclopentanecarboxamide
CID 42694207
1-propanoyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 113007799
N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
CID 53203069
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 90520307

Frequently Asked Questions

What is the IUPAC name of 1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 53203046) is 1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(c2nnc3ccccn23)CC1.
What is the InChIKey of 1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is DAHPAQUHCCHHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O/c20-19(21,22)14-4-6-15(7-5-14)23-17(28)13-8-11-26(12-9-13)18-25-24-16-3-1-2-10-27(16)18/h1-7,10,13H,8-9,11-12H2,(H,23,28).
What are the key properties of 1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 389.38 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 53203046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).