1-(2-oxo-2-piperidin-1-ylethyl)-3-propan-2-ylimidazo[4,5-b]pyridin-2-one

C16H22N4O2 — CID 16667871

IUPAC1-(2-oxo-2-piperidin-1-ylethyl)-3-propan-2-ylimidazo[4,5-b]pyridin-2-one
SMILESCC(C)n1c(=O)n(CC(=O)N2CCCCC2)c2cccnc21
InChIInChI=1S/C16H22N4O2/c1-12(2)20-15-13(7-6-8-17-15)19(16(20)22)11-14(21)18-9-4-3-5-10-18/h6-8,12H,3-5,9-11H2,1-2H3
InChIKeyZGEPVUPKJCGFJT-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.79
Rot. Bonds3

About 1-(2-oxo-2-piperidin-1-ylethyl)-3-propan-2-ylimidazo[4,5-b]pyridin-2-one

1-(2-oxo-2-piperidin-1-ylethyl)-3-propan-2-ylimidazo[4,5-b]pyridin-2-one (PubChem CID 16667871) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-(2-oxo-2-piperidin-1-ylethyl)-3-propan-2-ylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-(2-oxo-2-piperidin-1-ylethyl)-3-propan-2-ylimidazo[4,5-b]pyridin-2-one
PubChem CID16667871
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-(2-oxo-2-piperidin-1-ylethyl)-3-propan-2-ylimidazo[4,5-b]pyridin-2-one
SMILESCC(C)n1c(=O)n(CC(=O)N2CCCCC2)c2cccnc21
InChIInChI=1S/C16H22N4O2/c1-12(2)20-15-13(7-6-8-17-15)19(16(20)22)11-14(21)18-9-4-3-5-10-18/h6-8,12H,3-5,9-11H2,1-2H3
InChIKeyZGEPVUPKJCGFJT-UHFFFAOYSA-N
XLogP1.79
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-2-piperidin-1-ylethyl)-3-propan-2-ylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-(2-oxo-2-piperidin-1-ylethyl)-3-propan-2-ylimidazo[4,5-b]pyridin-2-one (CID 16667871) is 1-(2-oxo-2-piperidin-1-ylethyl)-3-propan-2-ylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-(2-oxo-2-piperidin-1-ylethyl)-3-propan-2-ylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-(2-oxo-2-piperidin-1-ylethyl)-3-propan-2-ylimidazo[4,5-b]pyridin-2-one is CC(C)n1c(=O)n(CC(=O)N2CCCCC2)c2cccnc21.
What is the InChIKey of 1-(2-oxo-2-piperidin-1-ylethyl)-3-propan-2-ylimidazo[4,5-b]pyridin-2-one?
The InChIKey is ZGEPVUPKJCGFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12(2)20-15-13(7-6-8-17-15)19(16(20)22)11-14(21)18-9-4-3-5-10-18/h6-8,12H,3-5,9-11H2,1-2H3.
What are the key properties of 1-(2-oxo-2-piperidin-1-ylethyl)-3-propan-2-ylimidazo[4,5-b]pyridin-2-one?
1-(2-oxo-2-piperidin-1-ylethyl)-3-propan-2-ylimidazo[4,5-b]pyridin-2-one has a molecular weight of 302.38 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-2-piperidin-1-ylethyl)-3-propan-2-ylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 16667871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).