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

C13H15FN2O3 — CID 113452823

IUPAC1-(5-fluoropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)c2cncc(F)c2)C1
InChIInChI=1S/C13H15FN2O3/c1-13(12(18)19)3-2-4-16(8-13)11(17)9-5-10(14)7-15-6-9/h5-7H,2-4,8H2,1H3,(H,18,19)
InChIKeyUQSAXPGJJMZXFN-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.55
Rot. Bonds2

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

1-(5-fluoropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid (PubChem CID 113452823) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 1-(5-fluoropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
PubChem CID113452823
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name1-(5-fluoropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)c2cncc(F)c2)C1
InChIInChI=1S/C13H15FN2O3/c1-13(12(18)19)3-2-4-16(8-13)11(17)9-5-10(14)7-15-6-9/h5-7H,2-4,8H2,1H3,(H,18,19)
InChIKeyUQSAXPGJJMZXFN-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

3-methyl-1-(3,4,5-trifluorobenzoyl)piperidine-3-carboxylic acid
CID 63187130
1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-fluoro-3-pyridinyl)methanone
CID 113340544
1-(6-chloropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63134102
3-methyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 63134382
1-(4-hydroxybenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 55166833
3-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63142817
1-(4-chlorobenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 55167027
1-(5-bromothiophene-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 55165489
3-ethyl-1-(5-hydroxypyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 63850482
1-(furan-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63133574
1-(3-bromobenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 63133748
7-(5-fluoropyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 115694744

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(5-fluoropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid (CID 113452823) is 1-(5-fluoropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-fluoropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(5-fluoropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(C(=O)c2cncc(F)c2)C1.
What is the InChIKey of 1-(5-fluoropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid?
The InChIKey is UQSAXPGJJMZXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-13(12(18)19)3-2-4-16(8-13)11(17)9-5-10(14)7-15-6-9/h5-7H,2-4,8H2,1H3,(H,18,19).
What are the key properties of 1-(5-fluoropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid?
1-(5-fluoropyridine-3-carbonyl)-3-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)-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 113452823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).