6-(1-acetylpiperidin-4-yl)pyrrolo[3,4-b]pyridine-5,7-dione

C14H15N3O3 — CID 113082569

IUPAC6-(1-acetylpiperidin-4-yl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCC(=O)N1CCC(N2C(=O)c3cccnc3C2=O)CC1
InChIInChI=1S/C14H15N3O3/c1-9(18)16-7-4-10(5-8-16)17-13(19)11-3-2-6-15-12(11)14(17)20/h2-3,6,10H,4-5,7-8H2,1H3
InChIKeyXUEWUCYPJBTPCE-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.69
Rot. Bonds1

About 6-(1-acetylpiperidin-4-yl)pyrrolo[3,4-b]pyridine-5,7-dione

6-(1-acetylpiperidin-4-yl)pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 113082569) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 6-(1-acetylpiperidin-4-yl)pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-(1-acetylpiperidin-4-yl)pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID113082569
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name6-(1-acetylpiperidin-4-yl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCC(=O)N1CCC(N2C(=O)c3cccnc3C2=O)CC1
InChIInChI=1S/C14H15N3O3/c1-9(18)16-7-4-10(5-8-16)17-13(19)11-3-2-6-15-12(11)14(17)20/h2-3,6,10H,4-5,7-8H2,1H3
InChIKeyXUEWUCYPJBTPCE-UHFFFAOYSA-N
XLogP0.69
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

6-(1-methylsulfonylpiperidin-4-yl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082631
6-[1-(2-ethylbutanoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082660
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-phenylpyrrolidine-1-carboxamide
CID 113082706
6-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082603
6-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082613
6-[1-(3-chlorobenzoyl)piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082608
6-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082685
6-[1-(3-fluorobenzoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082668
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)cyclohexane-1-carboxylic acid
CID 63043855
6-(1-butylsulfonylpiperidin-4-yl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082634
6-[4-(propylamino)cyclohexyl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 60997651
6-(2,3-dimethylcyclohexyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 126478886

Frequently Asked Questions

What is the IUPAC name of 6-(1-acetylpiperidin-4-yl)pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-(1-acetylpiperidin-4-yl)pyrrolo[3,4-b]pyridine-5,7-dione (CID 113082569) is 6-(1-acetylpiperidin-4-yl)pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-(1-acetylpiperidin-4-yl)pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-(1-acetylpiperidin-4-yl)pyrrolo[3,4-b]pyridine-5,7-dione is CC(=O)N1CCC(N2C(=O)c3cccnc3C2=O)CC1.
What is the InChIKey of 6-(1-acetylpiperidin-4-yl)pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is XUEWUCYPJBTPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9(18)16-7-4-10(5-8-16)17-13(19)11-3-2-6-15-12(11)14(17)20/h2-3,6,10H,4-5,7-8H2,1H3.
What are the key properties of 6-(1-acetylpiperidin-4-yl)pyrrolo[3,4-b]pyridine-5,7-dione?
6-(1-acetylpiperidin-4-yl)pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 273.29 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-acetylpiperidin-4-yl)pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 113082569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).