3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid

C14H17N3O2 — CID 117256876

IUPAC3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2c(CN3CCCCC3)cnc12
InChIInChI=1S/C14H17N3O2/c18-14(19)12-5-4-8-17-11(9-15-13(12)17)10-16-6-2-1-3-7-16/h4-5,8-9H,1-3,6-7,10H2,(H,18,19)
InChIKeyAZIVQTBOHQAFCS-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.02
Rot. Bonds3

About 3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid

3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid (PubChem CID 117256876) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid
PubChem CID117256876
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2c(CN3CCCCC3)cnc12
InChIInChI=1S/C14H17N3O2/c18-14(19)12-5-4-8-17-11(9-15-13(12)17)10-16-6-2-1-3-7-16/h4-5,8-9H,1-3,6-7,10H2,(H,18,19)
InChIKeyAZIVQTBOHQAFCS-UHFFFAOYSA-N
XLogP2.02
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117256877
methyl 3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117256875
3-(sulfanylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid
CID 117256926
4-[(8-chloroimidazo[1,2-a]pyridin-3-yl)methyl]morpholine
CID 117256800
3-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 117256906
3-(2-piperidin-1-ylethyl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 117147787
8-bromo-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 117256804
3-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 117256903
3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117255986
3-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid
CID 59588419
methyl 3-(aminomethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117256872
3-bromo-8-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 146596485

Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid?
The IUPAC name of 3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid (CID 117256876) is 3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid?
The canonical SMILES for 3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid is O=C(O)c1cccn2c(CN3CCCCC3)cnc12.
What is the InChIKey of 3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid?
The InChIKey is AZIVQTBOHQAFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-14(19)12-5-4-8-17-11(9-15-13(12)17)10-16-6-2-1-3-7-16/h4-5,8-9H,1-3,6-7,10H2,(H,18,19).
What are the key properties of 3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid?
3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 117256876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).