tert-butyl 4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxylate

C16H22N4O2 — CID 11255100

IUPACtert-butyl 4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2cnc3cccnc32)CC1
InChIInChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)19-9-6-12(7-10-19)20-11-18-13-5-4-8-17-14(13)20/h4-5,8,11-12H,6-7,9-10H2,1-3H3
InChIKeyIUNMOUPPXOSBFD-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.00
Rot. Bonds1

About tert-butyl 4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxylate

tert-butyl 4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxylate (PubChem CID 11255100) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is tert-butyl 4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxylate
PubChem CID11255100
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Nametert-butyl 4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2cnc3cccnc32)CC1
InChIInChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)19-9-6-12(7-10-19)20-11-18-13-5-4-8-17-14(13)20/h4-5,8,11-12H,6-7,9-10H2,1-3H3
InChIKeyIUNMOUPPXOSBFD-UHFFFAOYSA-N
XLogP3.00
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(2-aminopurin-9-yl)piperidine-1-carboxylate
CID 11381565
2-hydroxy-1-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-3-methyl-2-phenylbutan-1-one
CID 166307452
tert-butyl 4-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 125461639
tert-butyl 4-(3-methyl-1,2,4-triazol-4-yl)piperidine-1-carboxylate
CID 170740823
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 4-quinolin-5-yloxypiperidine-1-carboxylate
CID 170614892
tert-butyl 4-[(2-ethyl-3-pyridinyl)amino]piperidine-1-carboxylate
CID 138472256
tert-butyl 4-aminopiperidine-1-carboxylate;2-methylpyridine
CID 153338980
tert-butyl 4-(2-ethylimidazol-1-yl)piperidine-1-carboxylate
CID 23084136
tert-butyl 4-(2-propan-2-ylimidazol-1-yl)piperidine-1-carboxylate
CID 23084185
tert-butyl 4-[6-(cyclopropanecarbonylamino)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate
CID 141439889
tert-butyl 4-(4-aminoimidazol-1-yl)piperidine-1-carboxylate
CID 18969335

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxylate (CID 11255100) is tert-butyl 4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2cnc3cccnc32)CC1.
What is the InChIKey of tert-butyl 4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxylate?
The InChIKey is IUNMOUPPXOSBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)19-9-6-12(7-10-19)20-11-18-13-5-4-8-17-14(13)20/h4-5,8,11-12H,6-7,9-10H2,1-3H3.
What are the key properties of tert-butyl 4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxylate?
tert-butyl 4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxylate has a molecular weight of 302.38 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxylate is sourced from PubChem (CID 11255100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).