tert-butyl 4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate

C16H22N4O3 — CID 58380701

IUPACtert-butyl 4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2c(=O)[nH]c3cccnc32)CC1
InChIInChI=1S/C16H22N4O3/c1-16(2,3)23-15(22)19-9-6-11(7-10-19)20-13-12(18-14(20)21)5-4-8-17-13/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,18,21)
InChIKeyHQUBUUNMNUVHKS-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.30
Rot. Bonds1

About tert-butyl 4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate

tert-butyl 4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate (PubChem CID 58380701) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is tert-butyl 4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
PubChem CID58380701
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Nametert-butyl 4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2c(=O)[nH]c3cccnc32)CC1
InChIInChI=1S/C16H22N4O3/c1-16(2,3)23-15(22)19-9-6-11(7-10-19)20-13-12(18-14(20)21)5-4-8-17-13/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,18,21)
InChIKeyHQUBUUNMNUVHKS-UHFFFAOYSA-N
XLogP2.30
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate (CID 58380701) is tert-butyl 4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2c(=O)[nH]c3cccnc32)CC1.
What is the InChIKey of tert-butyl 4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate?
The InChIKey is HQUBUUNMNUVHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-16(2,3)23-15(22)19-9-6-11(7-10-19)20-13-12(18-14(20)21)5-4-8-17-13/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,18,21).
What are the key properties of tert-butyl 4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate?
tert-butyl 4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate has a molecular weight of 318.38 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 58380701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).