5-[4-(2,2,2-trifluoroethyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid

C14H15F3N2O3 — CID 166254894

IUPAC5-[4-(2,2,2-trifluoroethyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(C(=O)N2CCC(CC(F)(F)F)CC2)c1
InChIInChI=1S/C14H15F3N2O3/c15-14(16,17)6-9-1-3-19(4-2-9)12(20)10-5-11(13(21)22)8-18-7-10/h5,7-9H,1-4,6H2,(H,21,22)
InChIKeyOMVNSPIFZYBNDW-UHFFFAOYSA-N
MW316.28 g/mol
LogP2.58
Rot. Bonds3

About 5-[4-(2,2,2-trifluoroethyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid

5-[4-(2,2,2-trifluoroethyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid (PubChem CID 166254894) has the molecular formula C14H15F3N2O3 and a molecular weight of 316.28 g/mol. Its IUPAC name is 5-[4-(2,2,2-trifluoroethyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[4-(2,2,2-trifluoroethyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid
PubChem CID166254894
Molecular FormulaC14H15F3N2O3
Molecular Weight316.28 g/mol
Exact Mass316.10
IUPAC Name5-[4-(2,2,2-trifluoroethyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(C(=O)N2CCC(CC(F)(F)F)CC2)c1
InChIInChI=1S/C14H15F3N2O3/c15-14(16,17)6-9-1-3-19(4-2-9)12(20)10-5-11(13(21)22)8-18-7-10/h5,7-9H,1-4,6H2,(H,21,22)
InChIKeyOMVNSPIFZYBNDW-UHFFFAOYSA-N
XLogP2.58
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[4-(2,2,2-trifluoroethyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 115736655
[4-[(dimethylamino)methyl]piperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 63859263
(4-methyl-1H-pyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone
CID 126798384
(5-hydroxy-3-pyridinyl)-(4-propylazepan-1-yl)methanone
CID 63930804
(5-fluoro-3-pyridinyl)-[4-(propan-2-yloxymethyl)piperidin-1-yl]methanone
CID 118790419
1-(5-hydroxypyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 63850646
5-[(2S)-2-ethylpyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
CID 58714763
5-(2-ethylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 21062091
pyridine-3,5-dicarboxylic acid;hydrochloride
CID 66910809
pyridine-3,5-dicarboxylic acid;dihydrobromide
CID 139466512
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
(5-ethyl-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 71290322

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,2,2-trifluoroethyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[4-(2,2,2-trifluoroethyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid (CID 166254894) is 5-[4-(2,2,2-trifluoroethyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[4-(2,2,2-trifluoroethyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[4-(2,2,2-trifluoroethyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid is O=C(O)c1cncc(C(=O)N2CCC(CC(F)(F)F)CC2)c1.
What is the InChIKey of 5-[4-(2,2,2-trifluoroethyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid?
The InChIKey is OMVNSPIFZYBNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O3/c15-14(16,17)6-9-1-3-19(4-2-9)12(20)10-5-11(13(21)22)8-18-7-10/h5,7-9H,1-4,6H2,(H,21,22).
What are the key properties of 5-[4-(2,2,2-trifluoroethyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid?
5-[4-(2,2,2-trifluoroethyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid has a molecular weight of 316.28 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,2,2-trifluoroethyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 166254894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).