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

C16H21N3O2 — CID 117137830

IUPACmethyl 2-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2cc(CCN3CCCCC3)nc12
InChIInChI=1S/C16H21N3O2/c1-21-16(20)14-6-5-10-19-12-13(17-15(14)19)7-11-18-8-3-2-4-9-18/h5-6,10,12H,2-4,7-9,11H2,1H3
InChIKeyRFMLVYSUDDIACJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.15
Rot. Bonds4

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

methyl 2-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyridine-8-carboxylate (PubChem CID 117137830) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is methyl 2-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyridine-8-carboxylate
PubChem CID117137830
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Namemethyl 2-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2cc(CCN3CCCCC3)nc12
InChIInChI=1S/C16H21N3O2/c1-21-16(20)14-6-5-10-19-12-13(17-15(14)19)7-11-18-8-3-2-4-9-18/h5-6,10,12H,2-4,7-9,11H2,1H3
InChIKeyRFMLVYSUDDIACJ-UHFFFAOYSA-N
XLogP2.15
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 117256766
methyl 2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 117256742
methyl 2-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 117137405
methyl 2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 56781581
methyl 2-(1-ethylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117136523
methyl 2-(6-oxa-9-azaspiro[3.6]decan-9-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 136530911
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
methyl 2-[[(2R)-2-acetamido-3-methylbutanoyl]oxymethyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 95612525
2-ethylimidazo[1,2-a]pyridine-8-carboxylic acid
CID 67360702
methyl 2-(azepan-1-ylmethyl)benzoate
CID 28748836
methyl 2-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 117135564

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyridine-8-carboxylate?
The IUPAC name of methyl 2-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyridine-8-carboxylate (CID 117137830) is methyl 2-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 2-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 2-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyridine-8-carboxylate is COC(=O)c1cccn2cc(CCN3CCCCC3)nc12.
What is the InChIKey of methyl 2-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyridine-8-carboxylate?
The InChIKey is RFMLVYSUDDIACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-21-16(20)14-6-5-10-19-12-13(17-15(14)19)7-11-18-8-3-2-4-9-18/h5-6,10,12H,2-4,7-9,11H2,1H3.
What are the key properties of methyl 2-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyridine-8-carboxylate?
methyl 2-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyridine-8-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyridine-8-carboxylate is sourced from PubChem (CID 117137830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).