5-(1-acetylpiperidin-3-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one

C19H28N4O2 — CID 71475565

IUPAC5-(1-acetylpiperidin-3-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
SMILESCC(=O)N1CCCC(c2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)C1
InChIInChI=1S/C19H28N4O2/c1-13(24)22-10-6-7-14(11-22)15-8-9-16-17(20-15)21(5)18(25)23(16)12-19(2,3)4/h8-9,14H,6-7,10-12H2,1-5H3
InChIKeyQYCYYKKEZAXURH-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.51
Rot. Bonds2

About 5-(1-acetylpiperidin-3-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one

5-(1-acetylpiperidin-3-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one (PubChem CID 71475565) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 5-(1-acetylpiperidin-3-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5-(1-acetylpiperidin-3-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
PubChem CID71475565
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name5-(1-acetylpiperidin-3-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
SMILESCC(=O)N1CCCC(c2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)C1
InChIInChI=1S/C19H28N4O2/c1-13(24)22-10-6-7-14(11-22)15-8-9-16-17(20-15)21(5)18(25)23(16)12-19(2,3)4/h8-9,14H,6-7,10-12H2,1-5H3
InChIKeyQYCYYKKEZAXURH-UHFFFAOYSA-N
XLogP2.51
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-acetylpiperidin-3-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 5-(1-acetylpiperidin-3-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one (CID 71475565) is 5-(1-acetylpiperidin-3-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5-(1-acetylpiperidin-3-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 5-(1-acetylpiperidin-3-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one is CC(=O)N1CCCC(c2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)C1.
What is the InChIKey of 5-(1-acetylpiperidin-3-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one?
The InChIKey is QYCYYKKEZAXURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-13(24)22-10-6-7-14(11-22)15-8-9-16-17(20-15)21(5)18(25)23(16)12-19(2,3)4/h8-9,14H,6-7,10-12H2,1-5H3.
What are the key properties of 5-(1-acetylpiperidin-3-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one?
5-(1-acetylpiperidin-3-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one has a molecular weight of 344.46 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-acetylpiperidin-3-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 71475565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).