2-(3,3,4-trimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid

C15H20N2O3 — CID 122056218

IUPAC2-(3,3,4-trimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid
SMILESCC1CCN(C(=O)c2cc(C(=O)O)ccn2)CC1(C)C
InChIInChI=1S/C15H20N2O3/c1-10-5-7-17(9-15(10,2)3)13(18)12-8-11(14(19)20)4-6-16-12/h4,6,8,10H,5,7,9H2,1-3H3,(H,19,20)
InChIKeyWBCZFGVVZKKPEU-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.29
Rot. Bonds2

About 2-(3,3,4-trimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid

2-(3,3,4-trimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid (PubChem CID 122056218) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(3,3,4-trimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3,3,4-trimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid
PubChem CID122056218
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-(3,3,4-trimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid
SMILESCC1CCN(C(=O)c2cc(C(=O)O)ccn2)CC1(C)C
InChIInChI=1S/C15H20N2O3/c1-10-5-7-17(9-15(10,2)3)13(18)12-8-11(14(19)20)4-6-16-12/h4,6,8,10H,5,7,9H2,1-3H3,(H,19,20)
InChIKeyWBCZFGVVZKKPEU-UHFFFAOYSA-N
XLogP2.29
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylazepane-1-carbonyl)pyridine-4-carboxylic acid
CID 122055947
3-fluoro-4-(3,3,4-trimethylpiperidine-1-carbonyl)benzoic acid
CID 120552843
2-[4-(trifluoromethyl)piperidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055905
2-(4-tert-butylazepane-1-carbonyl)pyridine-4-carboxylic acid
CID 122055710
2-(2-ethyl-2-methylmorpholine-4-carbonyl)pyridine-4-carboxylic acid
CID 122056339
2-[3-(3-methylbutoxy)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055980
2-(4-phenoxypiperidine-1-carbonyl)pyridine-4-carboxylic acid
CID 122055245
2-[3-methyl-3-(2-phenylethyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055855
2-(2,3-dimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid
CID 122056228
2-(5-oxa-8-azaspiro[3.5]nonane-8-carbonyl)pyridine-4-carboxylic acid
CID 122056337
N-cyclopentyl-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109080690
2-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055956

Frequently Asked Questions

What is the IUPAC name of 2-(3,3,4-trimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(3,3,4-trimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid (CID 122056218) is 2-(3,3,4-trimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(3,3,4-trimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(3,3,4-trimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid is CC1CCN(C(=O)c2cc(C(=O)O)ccn2)CC1(C)C.
What is the InChIKey of 2-(3,3,4-trimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid?
The InChIKey is WBCZFGVVZKKPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-5-7-17(9-15(10,2)3)13(18)12-8-11(14(19)20)4-6-16-12/h4,6,8,10H,5,7,9H2,1-3H3,(H,19,20).
What are the key properties of 2-(3,3,4-trimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid?
2-(3,3,4-trimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,4-trimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 122056218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).