methyl 3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate

C15H19N3O2 — CID 117256877

IUPACmethyl 3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2c(CN3CCCCC3)cnc12
InChIInChI=1S/C15H19N3O2/c1-20-15(19)13-6-5-9-18-12(10-16-14(13)18)11-17-7-3-2-4-8-17/h5-6,9-10H,2-4,7-8,11H2,1H3
InChIKeyCLCURACZIIVJAH-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.11
Rot. Bonds3

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

methyl 3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate (PubChem CID 117256877) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is methyl 3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate
PubChem CID117256877
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Namemethyl 3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2c(CN3CCCCC3)cnc12
InChIInChI=1S/C15H19N3O2/c1-20-15(19)13-6-5-9-18-12(10-16-14(13)18)11-17-7-3-2-4-8-17/h5-6,9-10H,2-4,7-8,11H2,1H3
InChIKeyCLCURACZIIVJAH-UHFFFAOYSA-N
XLogP2.11
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117256875
3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid
CID 117256876
methyl 3-(aminomethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117256872
methyl 3-(methylsulfonylmethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117256887
methyl 2-(azepan-1-ylmethyl)benzoate
CID 28748836
methyl 2-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117137830
methyl 3-ethenylimidazo[1,2-a]pyridine-8-carboxylate
CID 135146869
methyl 2-(azepan-1-ylmethyl)furan-3-carboxylate
CID 51075342
8-bromo-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 117256804
4-[(8-chloroimidazo[1,2-a]pyridin-3-yl)methyl]morpholine
CID 117256800
3-(sulfanylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid
CID 117256926
methyl 2-(6-oxa-9-azaspiro[3.6]decan-9-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 136530911

Frequently Asked Questions

What is the IUPAC name of methyl 3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate?
The IUPAC name of methyl 3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate (CID 117256877) is methyl 3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate is COC(=O)c1cccn2c(CN3CCCCC3)cnc12.
What is the InChIKey of methyl 3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate?
The InChIKey is CLCURACZIIVJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-20-15(19)13-6-5-9-18-12(10-16-14(13)18)11-17-7-3-2-4-8-17/h5-6,9-10H,2-4,7-8,11H2,1H3.
What are the key properties of methyl 3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate?
methyl 3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate has a molecular weight of 273.34 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate is sourced from PubChem (CID 117256877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).