3-methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid

C15H17F3N2O3 — CID 46948426

IUPAC3-methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid
SMILESCc1nc(C(F)(F)F)ccc1C(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C15H17F3N2O3/c1-9-10(4-5-11(19-9)15(16,17)18)12(21)20-7-3-6-14(2,8-20)13(22)23/h4-5H,3,6-8H2,1-2H3,(H,22,23)
InChIKeyIJPHZWKKPIHJDD-UHFFFAOYSA-N
MW330.31 g/mol
LogP2.74
Rot. Bonds2

About 3-methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid

3-methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid (PubChem CID 46948426) has the molecular formula C15H17F3N2O3 and a molecular weight of 330.31 g/mol. Its IUPAC name is 3-methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid
PubChem CID46948426
Molecular FormulaC15H17F3N2O3
Molecular Weight330.31 g/mol
Exact Mass330.12
IUPAC Name3-methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid
SMILESCc1nc(C(F)(F)F)ccc1C(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C15H17F3N2O3/c1-9-10(4-5-11(19-9)15(16,17)18)12(21)20-7-3-6-14(2,8-20)13(22)23/h4-5H,3,6-8H2,1-2H3,(H,22,23)
InChIKeyIJPHZWKKPIHJDD-UHFFFAOYSA-N
XLogP2.74
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid (CID 46948426) is 3-methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid is Cc1nc(C(F)(F)F)ccc1C(=O)N1CCCC(C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid?
The InChIKey is IJPHZWKKPIHJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O3/c1-9-10(4-5-11(19-9)15(16,17)18)12(21)20-7-3-6-14(2,8-20)13(22)23/h4-5H,3,6-8H2,1-2H3,(H,22,23).
What are the key properties of 3-methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid?
3-methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid has a molecular weight of 330.31 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 46948426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).