methyl 2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate

C15H19N3O2 — CID 117130008

IUPACmethyl 2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(CC3CCCCN3)cn2c1
InChIInChI=1S/C15H19N3O2/c1-20-15(19)11-5-6-14-17-13(10-18(14)9-11)8-12-4-2-3-7-16-12/h5-6,9-10,12,16H,2-4,7-8H2,1H3
InChIKeyXXXVZLIHJKUSIT-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.81
Rot. Bonds3

About methyl 2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate

methyl 2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 117130008) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is methyl 2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID117130008
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Namemethyl 2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(CC3CCCCN3)cn2c1
InChIInChI=1S/C15H19N3O2/c1-20-15(19)11-5-6-14-17-13(10-18(14)9-11)8-12-4-2-3-7-16-12/h5-6,9-10,12,16H,2-4,7-8H2,1H3
InChIKeyXXXVZLIHJKUSIT-UHFFFAOYSA-N
XLogP1.81
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 117130150
methyl 2-(methylsulfanylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 117256159
methyl 1-(piperidin-2-ylmethyl)pyrazole-4-carboxylate
CID 84735437
methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 117256154
methyl 2-(1,1-dioxothiolan-3-yl)imidazo[1,2-a]pyridine-6-carboxylate
CID 117128873
[2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridin-7-yl]methanamine
CID 117134516
2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-7-carbaldehyde
CID 117134530
methyl 5-(piperidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxylate
CID 105481943
7-methyl-2-[[(2S)-piperidin-2-yl]methyl]imidazo[1,2-a]pyrimidine
CID 66650352
methyl 6-hydroxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117253578
6-methoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 83837508
methyl 2-[(2-fluorophenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 117256129

Frequently Asked Questions

What is the IUPAC name of methyl 2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate (CID 117130008) is methyl 2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(CC3CCCCN3)cn2c1.
What is the InChIKey of methyl 2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is XXXVZLIHJKUSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-20-15(19)11-5-6-14-17-13(10-18(14)9-11)8-12-4-2-3-7-16-12/h5-6,9-10,12,16H,2-4,7-8H2,1H3.
What are the key properties of methyl 2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 273.34 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 117130008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).