4-(3,5-dimethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid

C14H18N2O3 — CID 112700611

IUPAC4-(3,5-dimethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
SMILESCC1CC(C)CN(C(=O)c2ccnc(C(=O)O)c2)C1
InChIInChI=1S/C14H18N2O3/c1-9-5-10(2)8-16(7-9)13(17)11-3-4-15-12(6-11)14(18)19/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,18,19)
InChIKeyRJDBSSVLHWPLLK-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.90
Rot. Bonds2

About 4-(3,5-dimethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid

4-(3,5-dimethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid (PubChem CID 112700611) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
PubChem CID112700611
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-(3,5-dimethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
SMILESCC1CC(C)CN(C(=O)c2ccnc(C(=O)O)c2)C1
InChIInChI=1S/C14H18N2O3/c1-9-5-10(2)8-16(7-9)13(17)11-3-4-15-12(6-11)14(18)19/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,18,19)
InChIKeyRJDBSSVLHWPLLK-UHFFFAOYSA-N
XLogP1.90
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700608
4-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 102963573
4-(3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid
CID 114412276
4-[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 120692128
4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700662
4-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid
CID 106316266
4-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)pyridine-2-carboxylic acid
CID 119185128
hydrazine;pyridine-2,4-dicarboxylic acid
CID 71369189
4-chloro-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]pyridine-2-carboxamide
CID 87026950
4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid
CID 113352940
4-(5-carbamoyl-2-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 115730234
4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 113384996

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(3,5-dimethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid (CID 112700611) is 4-(3,5-dimethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(3,5-dimethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(3,5-dimethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid is CC1CC(C)CN(C(=O)c2ccnc(C(=O)O)c2)C1.
What is the InChIKey of 4-(3,5-dimethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid?
The InChIKey is RJDBSSVLHWPLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-5-10(2)8-16(7-9)13(17)11-3-4-15-12(6-11)14(18)19/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,18,19).
What are the key properties of 4-(3,5-dimethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid?
4-(3,5-dimethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 112700611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).