tert-butyl 4-(1H-imidazo[4,5-b]pyridin-2-yloxymethyl)piperidine-1-carboxylate

C17H24N4O3 — CID 71630338

IUPACtert-butyl 4-(1H-imidazo[4,5-b]pyridin-2-yloxymethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(COc2nc3ncccc3[nH]2)CC1
InChIInChI=1S/C17H24N4O3/c1-17(2,3)24-16(22)21-9-6-12(7-10-21)11-23-15-19-13-5-4-8-18-14(13)20-15/h4-5,8,12H,6-7,9-11H2,1-3H3,(H,18,19,20)
InChIKeyXEDAOHQRBOVKQX-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.98
Rot. Bonds3

About tert-butyl 4-(1H-imidazo[4,5-b]pyridin-2-yloxymethyl)piperidine-1-carboxylate

tert-butyl 4-(1H-imidazo[4,5-b]pyridin-2-yloxymethyl)piperidine-1-carboxylate (PubChem CID 71630338) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is tert-butyl 4-(1H-imidazo[4,5-b]pyridin-2-yloxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1H-imidazo[4,5-b]pyridin-2-yloxymethyl)piperidine-1-carboxylate
PubChem CID71630338
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Nametert-butyl 4-(1H-imidazo[4,5-b]pyridin-2-yloxymethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(COc2nc3ncccc3[nH]2)CC1
InChIInChI=1S/C17H24N4O3/c1-17(2,3)24-16(22)21-9-6-12(7-10-21)11-23-15-19-13-5-4-8-18-14(13)20-15/h4-5,8,12H,6-7,9-11H2,1-3H3,(H,18,19,20)
InChIKeyXEDAOHQRBOVKQX-UHFFFAOYSA-N
XLogP2.98
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1H-imidazo[4,5-b]pyridin-2-yloxymethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1H-imidazo[4,5-b]pyridin-2-yloxymethyl)piperidine-1-carboxylate (CID 71630338) is tert-butyl 4-(1H-imidazo[4,5-b]pyridin-2-yloxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1H-imidazo[4,5-b]pyridin-2-yloxymethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1H-imidazo[4,5-b]pyridin-2-yloxymethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(COc2nc3ncccc3[nH]2)CC1.
What is the InChIKey of tert-butyl 4-(1H-imidazo[4,5-b]pyridin-2-yloxymethyl)piperidine-1-carboxylate?
The InChIKey is XEDAOHQRBOVKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-17(2,3)24-16(22)21-9-6-12(7-10-21)11-23-15-19-13-5-4-8-18-14(13)20-15/h4-5,8,12H,6-7,9-11H2,1-3H3,(H,18,19,20).
What are the key properties of tert-butyl 4-(1H-imidazo[4,5-b]pyridin-2-yloxymethyl)piperidine-1-carboxylate?
tert-butyl 4-(1H-imidazo[4,5-b]pyridin-2-yloxymethyl)piperidine-1-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1H-imidazo[4,5-b]pyridin-2-yloxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 71630338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).