tert-butyl 4-imidazo[1,2-a]pyridin-2-ylpiperidine-1-carboxylate

C17H23N3O2 — CID 168797696

IUPACtert-butyl 4-imidazo[1,2-a]pyridin-2-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cn3ccccc3n2)CC1
InChIInChI=1S/C17H23N3O2/c1-17(2,3)22-16(21)19-10-7-13(8-11-19)14-12-20-9-5-4-6-15(20)18-14/h4-6,9,12-13H,7-8,10-11H2,1-3H3
InChIKeyZIFLPQBFWWFHNA-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.45
Rot. Bonds1

About tert-butyl 4-imidazo[1,2-a]pyridin-2-ylpiperidine-1-carboxylate

tert-butyl 4-imidazo[1,2-a]pyridin-2-ylpiperidine-1-carboxylate (PubChem CID 168797696) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is tert-butyl 4-imidazo[1,2-a]pyridin-2-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-imidazo[1,2-a]pyridin-2-ylpiperidine-1-carboxylate
PubChem CID168797696
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Nametert-butyl 4-imidazo[1,2-a]pyridin-2-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cn3ccccc3n2)CC1
InChIInChI=1S/C17H23N3O2/c1-17(2,3)22-16(21)19-10-7-13(8-11-19)14-12-20-9-5-4-6-15(20)18-14/h4-6,9,12-13H,7-8,10-11H2,1-3H3
InChIKeyZIFLPQBFWWFHNA-UHFFFAOYSA-N
XLogP3.45
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 4-[1-(pyridin-2-ylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidine-1-carboxylate
CID 110090105
tert-butyl 4-(2-iodo-1-methylimidazol-4-yl)piperidine-1-carboxylate
CID 129139631
tert-butyl 4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazine-1-carboxylate
CID 162624837
tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate
CID 134611090
tert-butyl 4-(1-methylpyrazol-3-yl)piperidine-1-carboxylate
CID 122270741
tert-butyl 4-(6-ethoxy-2-pyridinyl)piperidine-1-carboxylate
CID 170079671
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-nitroimidazo[1,2-a]pyridine-7-carboxylic acid
CID 175026078
tert-butyl 4-(6-pyrrolidin-1-yl-2-pyridinyl)piperidine-1-carboxylate
CID 163230097
tert-butyl 3-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)piperidine-1-carboxylate
CID 130407265
tert-butyl 4-(2-chloropyrimidin-4-yl)piperidine-1-carboxylate
CID 46839930
tert-butyl 4-(5-amino-1-benzhydrylpyrazol-3-yl)piperidine-1-carboxylate
CID 118267766

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-imidazo[1,2-a]pyridin-2-ylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-imidazo[1,2-a]pyridin-2-ylpiperidine-1-carboxylate (CID 168797696) is tert-butyl 4-imidazo[1,2-a]pyridin-2-ylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-imidazo[1,2-a]pyridin-2-ylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-imidazo[1,2-a]pyridin-2-ylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cn3ccccc3n2)CC1.
What is the InChIKey of tert-butyl 4-imidazo[1,2-a]pyridin-2-ylpiperidine-1-carboxylate?
The InChIKey is ZIFLPQBFWWFHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-17(2,3)22-16(21)19-10-7-13(8-11-19)14-12-20-9-5-4-6-15(20)18-14/h4-6,9,12-13H,7-8,10-11H2,1-3H3.
What are the key properties of tert-butyl 4-imidazo[1,2-a]pyridin-2-ylpiperidine-1-carboxylate?
tert-butyl 4-imidazo[1,2-a]pyridin-2-ylpiperidine-1-carboxylate has a molecular weight of 301.39 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-imidazo[1,2-a]pyridin-2-ylpiperidine-1-carboxylate is sourced from PubChem (CID 168797696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).