1-(5-fluoropyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid

C13H15FN2O3 — CID 122083524

IUPAC1-(5-fluoropyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)c1cncc(F)c1
InChIInChI=1S/C13H15FN2O3/c1-8-2-3-9(13(18)19)7-16(8)12(17)10-4-11(14)6-15-5-10/h4-6,8-9H,2-3,7H2,1H3,(H,18,19)
InChIKeyOTUMVOMJSDGQHJ-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.55
Rot. Bonds2

About 1-(5-fluoropyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid

1-(5-fluoropyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid (PubChem CID 122083524) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 1-(5-fluoropyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoropyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
PubChem CID122083524
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name1-(5-fluoropyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)c1cncc(F)c1
InChIInChI=1S/C13H15FN2O3/c1-8-2-3-9(13(18)19)7-16(8)12(17)10-4-11(14)6-15-5-10/h4-6,8-9H,2-3,7H2,1H3,(H,18,19)
InChIKeyOTUMVOMJSDGQHJ-UHFFFAOYSA-N
XLogP1.55
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methylbenzoyl)-6-methylpiperidine-3-carboxylic acid
CID 122083734
1-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122112738
1-(5-chloro-6-ethoxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122112919
(3S,6R)-1-(furo[3,2-b]pyridine-6-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 167751397
1-(5-fluoro-2-iodobenzoyl)-6-methylpiperidine-3-carboxylic acid
CID 122113714
1-(furan-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083728
1-[2-(2,5-difluorophenyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122113479
[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 102786489
(3R,6R)-1-[4-fluoro-2-(triazol-2-yl)benzoyl]-6-methylpiperidine-3-carboxylic acid
CID 86729685
1-[2-(4-fluorophenyl)triazole-4-carbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122113522
1-(2,6-dimethylpyrimidine-4-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122112968
3-(5-fluoropyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 104785479

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(5-fluoropyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid (CID 122083524) is 1-(5-fluoropyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-fluoropyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(5-fluoropyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid is CC1CCC(C(=O)O)CN1C(=O)c1cncc(F)c1.
What is the InChIKey of 1-(5-fluoropyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The InChIKey is OTUMVOMJSDGQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-8-2-3-9(13(18)19)7-16(8)12(17)10-4-11(14)6-15-5-10/h4-6,8-9H,2-3,7H2,1H3,(H,18,19).
What are the key properties of 1-(5-fluoropyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid?
1-(5-fluoropyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid has a molecular weight of 266.27 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122083524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).