1-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid

C15H16F3N5O2 — CID 56716452

IUPAC1-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(CC2CCCN(c3ncccc3C(F)(F)F)C2)nn1
InChIInChI=1S/C15H16F3N5O2/c16-15(17,18)11-4-1-5-19-13(11)22-6-2-3-10(7-22)8-23-9-12(14(24)25)20-21-23/h1,4-5,9-10H,2-3,6-8H2,(H,24,25)
InChIKeyACNDAOXXPRZKLK-UHFFFAOYSA-N
MW355.32 g/mol
LogP2.31
Rot. Bonds4

About 1-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid

1-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid (PubChem CID 56716452) has the molecular formula C15H16F3N5O2 and a molecular weight of 355.32 g/mol. Its IUPAC name is 1-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid
PubChem CID56716452
Molecular FormulaC15H16F3N5O2
Molecular Weight355.32 g/mol
Exact Mass355.13
IUPAC Name1-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(CC2CCCN(c3ncccc3C(F)(F)F)C2)nn1
InChIInChI=1S/C15H16F3N5O2/c16-15(17,18)11-4-1-5-19-13(11)22-6-2-3-10(7-22)8-23-9-12(14(24)25)20-21-23/h1,4-5,9-10H,2-3,6-8H2,(H,24,25)
InChIKeyACNDAOXXPRZKLK-UHFFFAOYSA-N
XLogP2.31
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[1-(3-cyano-2-pyridinyl)piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 56714395
1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 47174336
1-[[1-(7-chloroquinolin-4-yl)piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 56707594
1-[[(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 95191744
(3R)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 94918055
(3R)-N-(4-aminocyclohexyl)-N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 124686664
1-[[(3S)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 157039208
1-[[(3S)-1-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 95208639
1-[[(3R)-1-(5-ethoxycarbonyl-2-pyridinyl)piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 95200964
(2S)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 28873916
N-benzyl-N-propan-2-yl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 55758731
N'-[2-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbohydrazide
CID 55718313

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid (CID 56716452) is 1-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid is O=C(O)c1cn(CC2CCCN(c3ncccc3C(F)(F)F)C2)nn1.
What is the InChIKey of 1-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid?
The InChIKey is ACNDAOXXPRZKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O2/c16-15(17,18)11-4-1-5-19-13(11)22-6-2-3-10(7-22)8-23-9-12(14(24)25)20-21-23/h1,4-5,9-10H,2-3,6-8H2,(H,24,25).
What are the key properties of 1-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid?
1-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid has a molecular weight of 355.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid is sourced from PubChem (CID 56716452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).