1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylic acid

C13H17FN2O3 — CID 137457786

IUPAC1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cccn([C@@H]2CCCN(CCF)C2)c1=O
InChIInChI=1S/C13H17FN2O3/c14-5-8-15-6-1-3-10(9-15)16-7-2-4-11(12(16)17)13(18)19/h2,4,7,10H,1,3,5-6,8-9H2,(H,18,19)/t10-/m1/s1
InChIKeyNZNIJYWLJYZEQH-SNVBAGLBSA-N
MW268.29 g/mol
LogP1.15
Rot. Bonds4

About 1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylic acid

1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylic acid (PubChem CID 137457786) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylic acid
PubChem CID137457786
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cccn([C@@H]2CCCN(CCF)C2)c1=O
InChIInChI=1S/C13H17FN2O3/c14-5-8-15-6-1-3-10(9-15)16-7-2-4-11(12(16)17)13(18)19/h2,4,7,10H,1,3,5-6,8-9H2,(H,18,19)/t10-/m1/s1
InChIKeyNZNIJYWLJYZEQH-SNVBAGLBSA-N
XLogP1.15
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]pyridin-2-one
CID 137457784
1-cyclohexyl-2-oxopyridine-3-carboxylic acid;hydrochloride
CID 70588854
3-ethyl-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one
CID 156737838
methyl 1-cyclobutyl-2-oxopyridine-3-carboxylate
CID 139390457
1-bromo-2-fluoroethane;tert-butyl N-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]carbamate;tert-butyl N-[1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxo-3-pyridinyl]carbamate;tert-butyl N-[(3R)-piperidin-3-yl]carbamate;bis((3R)-1-(2-fluoroethyl)piperidin-3-amine);1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylic acid;methyl 1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylate;methyl 2-oxopyran-3-carboxylate;dihydrochloride
CID 162212279
2-[(3R)-1-benzylpiperidin-3-yl]isoquinolin-1-one;2-[(3S)-1-benzylpiperidin-3-yl]-1-(2-methylphenyl)ethanone
CID 159940455
2-[[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methyl]benzoic acid
CID 56703546
N-[1-(1-methylpiperidin-3-yl)-2-oxo-3-pyridinyl]acetamide
CID 137450630
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-phenylbutan-1-one
CID 63151034
2-oxo-1-[3-(trideuteriomethoxy)cyclobutyl]pyridine-3-carboxylic acid
CID 175758604
3-(1-cyclopentyl-2-oxo-3-pyridinyl)propanoic acid
CID 82526557
5-[[1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142523940

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylic acid (CID 137457786) is 1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylic acid is O=C(O)c1cccn([C@@H]2CCCN(CCF)C2)c1=O.
What is the InChIKey of 1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylic acid?
The InChIKey is NZNIJYWLJYZEQH-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17FN2O3/c14-5-8-15-6-1-3-10(9-15)16-7-2-4-11(12(16)17)13(18)19/h2,4,7,10H,1,3,5-6,8-9H2,(H,18,19)/t10-/m1/s1.
What are the key properties of 1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylic acid?
1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylic acid has a molecular weight of 268.29 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 137457786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).