tert-butyl 4-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate

C17H24N4O3 — CID 125461639

IUPACtert-butyl 4-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
SMILESCn1c(=O)n(C2CCN(C(=O)OC(C)(C)C)CC2)c2ncccc21
InChIInChI=1S/C17H24N4O3/c1-17(2,3)24-16(23)20-10-7-12(8-11-20)21-14-13(6-5-9-18-14)19(4)15(21)22/h5-6,9,12H,7-8,10-11H2,1-4H3
InChIKeyPIKBCNOWQZRILX-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.31
Rot. Bonds1

About tert-butyl 4-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate

tert-butyl 4-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate (PubChem CID 125461639) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is tert-butyl 4-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
PubChem CID125461639
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Nametert-butyl 4-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
SMILESCn1c(=O)n(C2CCN(C(=O)OC(C)(C)C)CC2)c2ncccc21
InChIInChI=1S/C17H24N4O3/c1-17(2,3)24-16(23)20-10-7-12(8-11-20)21-14-13(6-5-9-18-14)19(4)15(21)22/h5-6,9,12H,7-8,10-11H2,1-4H3
InChIKeyPIKBCNOWQZRILX-UHFFFAOYSA-N
XLogP2.31
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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3-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one
CID 171141982
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tert-butyl 4-(4-oxo-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,5,8,10,12-pentaen-3-yl)piperidine-1-carboxylate
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tert-butyl 4-aminopiperidine-1-carboxylate;2-methylpyridine
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tert-butyl 4-[2-(pyridine-3-carbonylamino)benzimidazol-1-yl]piperidine-1-carboxylate
CID 90045488
7-methyl-9-[1-(pyridine-3-carbonyl)piperidin-4-yl]purin-8-one
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate (CID 125461639) is tert-butyl 4-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate is Cn1c(=O)n(C2CCN(C(=O)OC(C)(C)C)CC2)c2ncccc21.
What is the InChIKey of tert-butyl 4-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate?
The InChIKey is PIKBCNOWQZRILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-17(2,3)24-16(23)20-10-7-12(8-11-20)21-14-13(6-5-9-18-14)19(4)15(21)22/h5-6,9,12H,7-8,10-11H2,1-4H3.
What are the key properties of tert-butyl 4-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate?
tert-butyl 4-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 125461639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).