1-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-oxopyridine-3-carboxylic acid

C12H15FN2O3 — CID 139383850

IUPAC1-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-oxopyridine-3-carboxylic acid
SMILESCN1CC[C@H](n2cccc(C(=O)O)c2=O)[C@H](F)C1
InChIInChI=1S/C12H15FN2O3/c1-14-6-4-10(9(13)7-14)15-5-2-3-8(11(15)16)12(17)18/h2-3,5,9-10H,4,6-7H2,1H3,(H,17,18)/t9-,10+/m1/s1
InChIKeyWJNYDPRYAJDJJO-ZJUUUORDSA-N
MW254.26 g/mol
LogP0.76
Rot. Bonds2

About 1-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-oxopyridine-3-carboxylic acid

1-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-oxopyridine-3-carboxylic acid (PubChem CID 139383850) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is 1-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-oxopyridine-3-carboxylic acid
PubChem CID139383850
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Name1-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-oxopyridine-3-carboxylic acid
SMILESCN1CC[C@H](n2cccc(C(=O)O)c2=O)[C@H](F)C1
InChIInChI=1S/C12H15FN2O3/c1-14-6-4-10(9(13)7-14)15-5-2-3-8(11(15)16)12(17)18/h2-3,5,9-10H,4,6-7H2,1H3,(H,17,18)/t9-,10+/m1/s1
InChIKeyWJNYDPRYAJDJJO-ZJUUUORDSA-N
XLogP0.76
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxylic acid
CID 137450339
1-[(2R)-2-fluorocyclopropyl]-2-oxopyridine-3-carboxylic acid
CID 137450490
1-[1-(2-Fluoroethyl)piperidin-4-yl]-2-oxopyridine-3-carboxylic acid
CID 137450508
Methyl 1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxopyridine-3-carboxylate
CID 137450512
methyl 1-[(4R)-3-fluoro-1-methylpiperidin-4-yl]-2-oxopyridine-3-carboxylate
CID 137450635
Methyl 1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylate
CID 137450691
1-(3,3-Difluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylic acid
CID 137450692
1-(3-Fluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylic acid
CID 137450743
Methyl 1-(3-fluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylate
CID 137450745
1-[1-(2-Fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylic acid
CID 137450775
Methyl 1-[1-(2-fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylate
CID 137450781
1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-2-oxopyridine-3-carboxylic acid
CID 137450862

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-oxopyridine-3-carboxylic acid (CID 139383850) is 1-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-oxopyridine-3-carboxylic acid is CN1CC[C@H](n2cccc(C(=O)O)c2=O)[C@H](F)C1.
What is the InChIKey of 1-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-oxopyridine-3-carboxylic acid?
The InChIKey is WJNYDPRYAJDJJO-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-14-6-4-10(9(13)7-14)15-5-2-3-8(11(15)16)12(17)18/h2-3,5,9-10H,4,6-7H2,1H3,(H,17,18)/t9-,10+/m1/s1.
What are the key properties of 1-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-oxopyridine-3-carboxylic acid?
1-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-oxopyridine-3-carboxylic acid has a molecular weight of 254.26 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 139383850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).