methyl 2-piperidin-3-ylimidazo[1,2-a]pyridine-7-carboxylate

C14H17N3O2 — CID 117134090

IUPACmethyl 2-piperidin-3-ylimidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2cc(C3CCCNC3)nc2c1
InChIInChI=1S/C14H17N3O2/c1-19-14(18)10-4-6-17-9-12(16-13(17)7-10)11-3-2-5-15-8-11/h4,6-7,9,11,15H,2-3,5,8H2,1H3
InChIKeyQOPLEOYBECJHDN-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.59
Rot. Bonds2

About methyl 2-piperidin-3-ylimidazo[1,2-a]pyridine-7-carboxylate

methyl 2-piperidin-3-ylimidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 117134090) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 2-piperidin-3-ylimidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-piperidin-3-ylimidazo[1,2-a]pyridine-7-carboxylate
PubChem CID117134090
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Namemethyl 2-piperidin-3-ylimidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2cc(C3CCCNC3)nc2c1
InChIInChI=1S/C14H17N3O2/c1-19-14(18)10-4-6-17-9-12(16-13(17)7-10)11-3-2-5-15-8-11/h4,6-7,9,11,15H,2-3,5,8H2,1H3
InChIKeyQOPLEOYBECJHDN-UHFFFAOYSA-N
XLogP1.59
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117133580
methyl 2-(1-ethylpiperidin-2-yl)imidazo[1,2-a]pyridine-7-carboxylate
CID 117134360
methyl 3-iodo-4-piperidin-3-ylbenzoate
CID 44828968
methyl 3-[(3R)-piperidin-3-yl]benzoate;hydrochloride
CID 45074282
2-cyclohexylimidazo[1,2-a]pyridine-7-carboxylic acid
CID 82357034
methyl 2-(piperidin-3-ylamino)pyridine-4-carboxylate
CID 83841971
methyl 7-hydroxy-3-piperidin-3-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117254082
methyl 2-(2-methylphenyl)imidazo[1,2-a]pyridine-7-carboxylate
CID 117135442
methyl 2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 117133970
2-cyclopentyl-7-methoxyimidazo[1,2-a]pyridine
CID 117135531
methyl 2-piperidin-4-ylimidazo[1,2-a]pyridine-8-carboxylate
CID 117136001
methyl 2-(3-methoxypropyl)imidazo[1,2-a]pyridine-7-carboxylate
CID 117133420

Frequently Asked Questions

What is the IUPAC name of methyl 2-piperidin-3-ylimidazo[1,2-a]pyridine-7-carboxylate?
The IUPAC name of methyl 2-piperidin-3-ylimidazo[1,2-a]pyridine-7-carboxylate (CID 117134090) is methyl 2-piperidin-3-ylimidazo[1,2-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 2-piperidin-3-ylimidazo[1,2-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 2-piperidin-3-ylimidazo[1,2-a]pyridine-7-carboxylate is COC(=O)c1ccn2cc(C3CCCNC3)nc2c1.
What is the InChIKey of methyl 2-piperidin-3-ylimidazo[1,2-a]pyridine-7-carboxylate?
The InChIKey is QOPLEOYBECJHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-19-14(18)10-4-6-17-9-12(16-13(17)7-10)11-3-2-5-15-8-11/h4,6-7,9,11,15H,2-3,5,8H2,1H3.
What are the key properties of methyl 2-piperidin-3-ylimidazo[1,2-a]pyridine-7-carboxylate?
methyl 2-piperidin-3-ylimidazo[1,2-a]pyridine-7-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-piperidin-3-ylimidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 117134090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).