[1-(2,2,2-trifluoroethyl)piperidin-4-yl] 6-methyl-2-oxo-1H-pyridine-3-carboxylate

C14H17F3N2O3 — CID 71982369

IUPAC[1-(2,2,2-trifluoroethyl)piperidin-4-yl] 6-methyl-2-oxo-1H-pyridine-3-carboxylate
SMILESCc1ccc(C(=O)OC2CCN(CC(F)(F)F)CC2)c(=O)[nH]1
InChIInChI=1S/C14H17F3N2O3/c1-9-2-3-11(12(20)18-9)13(21)22-10-4-6-19(7-5-10)8-14(15,16)17/h2-3,10H,4-8H2,1H3,(H,18,20)
InChIKeyVTPOTKYZRJNQCY-UHFFFAOYSA-N
MW318.30 g/mol
LogP1.87
Rot. Bonds3

About [1-(2,2,2-trifluoroethyl)piperidin-4-yl] 6-methyl-2-oxo-1H-pyridine-3-carboxylate

[1-(2,2,2-trifluoroethyl)piperidin-4-yl] 6-methyl-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 71982369) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.30 g/mol. Its IUPAC name is [1-(2,2,2-trifluoroethyl)piperidin-4-yl] 6-methyl-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name[1-(2,2,2-trifluoroethyl)piperidin-4-yl] 6-methyl-2-oxo-1H-pyridine-3-carboxylate
PubChem CID71982369
Molecular FormulaC14H17F3N2O3
Molecular Weight318.30 g/mol
Exact Mass318.12
IUPAC Name[1-(2,2,2-trifluoroethyl)piperidin-4-yl] 6-methyl-2-oxo-1H-pyridine-3-carboxylate
SMILESCc1ccc(C(=O)OC2CCN(CC(F)(F)F)CC2)c(=O)[nH]1
InChIInChI=1S/C14H17F3N2O3/c1-9-2-3-11(12(20)18-9)13(21)22-10-4-6-19(7-5-10)8-14(15,16)17/h2-3,10H,4-8H2,1H3,(H,18,20)
InChIKeyVTPOTKYZRJNQCY-UHFFFAOYSA-N
XLogP1.87
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 1-(3,3-difluoropiperidin-4-yl)-2-oxopyridine-3-carboxylate
CID 137450694
Ethyl 1-(3-amino-3-methylbutyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylate
CID 172377412
[(3S,4R)-3-fluoropiperidin-4-yl] 2-oxo-1H-pyridine-3-carboxylate
CID 177200376
2-[methyl(2,2,2-trifluoroethyl)amino]ethyl 6-methyl-2-oxo-1H-pyridine-3-carboxylate
CID 71987872
[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl 6-methyl-2-oxo-1H-pyridine-3-carboxylate
CID 72002235
[1-(2,2,2-trifluoroethyl)piperidin-4-yl] 2-methyl-6-oxo-1H-pyridine-4-carboxylate
CID 75502104
[1-(2,2-difluoroethyl)piperidin-4-yl] 6-methyl-2-oxo-1H-pyridine-3-carboxylate
CID 75505066
[1-(2,2,2-trifluoroethyl)piperidin-4-yl] 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate
CID 75521577
[1-(2,2-difluoroethyl)piperidin-4-yl] 2-methyl-6-oxo-1H-pyridine-4-carboxylate
CID 86790016

Frequently Asked Questions

What is the IUPAC name of [1-(2,2,2-trifluoroethyl)piperidin-4-yl] 6-methyl-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of [1-(2,2,2-trifluoroethyl)piperidin-4-yl] 6-methyl-2-oxo-1H-pyridine-3-carboxylate (CID 71982369) is [1-(2,2,2-trifluoroethyl)piperidin-4-yl] 6-methyl-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for [1-(2,2,2-trifluoroethyl)piperidin-4-yl] 6-methyl-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for [1-(2,2,2-trifluoroethyl)piperidin-4-yl] 6-methyl-2-oxo-1H-pyridine-3-carboxylate is Cc1ccc(C(=O)OC2CCN(CC(F)(F)F)CC2)c(=O)[nH]1.
What is the InChIKey of [1-(2,2,2-trifluoroethyl)piperidin-4-yl] 6-methyl-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is VTPOTKYZRJNQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c1-9-2-3-11(12(20)18-9)13(21)22-10-4-6-19(7-5-10)8-14(15,16)17/h2-3,10H,4-8H2,1H3,(H,18,20).
What are the key properties of [1-(2,2,2-trifluoroethyl)piperidin-4-yl] 6-methyl-2-oxo-1H-pyridine-3-carboxylate?
[1-(2,2,2-trifluoroethyl)piperidin-4-yl] 6-methyl-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 318.30 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2,2-trifluoroethyl)piperidin-4-yl] 6-methyl-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 71982369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).