5-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carbonyl)piperidin-2-one

C13H21N3O2 — CID 102679338

IUPAC5-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carbonyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCCC3CNCC32)CN1
InChIInChI=1S/C13H21N3O2/c17-12-4-3-10(7-15-12)13(18)16-5-1-2-9-6-14-8-11(9)16/h9-11,14H,1-8H2,(H,15,17)
InChIKeyZVYLWOVFKFWAQU-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.28
Rot. Bonds1

About 5-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carbonyl)piperidin-2-one

5-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carbonyl)piperidin-2-one (PubChem CID 102679338) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name5-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carbonyl)piperidin-2-one
PubChem CID102679338
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carbonyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCCC3CNCC32)CN1
InChIInChI=1S/C13H21N3O2/c17-12-4-3-10(7-15-12)13(18)16-5-1-2-9-6-14-8-11(9)16/h9-11,14H,1-8H2,(H,15,17)
InChIKeyZVYLWOVFKFWAQU-UHFFFAOYSA-N
XLogP-0.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carbonyl)piperidin-2-one?
The IUPAC name of 5-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carbonyl)piperidin-2-one (CID 102679338) is 5-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carbonyl)piperidin-2-one.
What is the SMILES notation for 5-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carbonyl)piperidin-2-one?
The canonical SMILES for 5-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carbonyl)piperidin-2-one is O=C1CCC(C(=O)N2CCCC3CNCC32)CN1.
What is the InChIKey of 5-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carbonyl)piperidin-2-one?
The InChIKey is ZVYLWOVFKFWAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c17-12-4-3-10(7-15-12)13(18)16-5-1-2-9-6-14-8-11(9)16/h9-11,14H,1-8H2,(H,15,17).
What are the key properties of 5-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carbonyl)piperidin-2-one?
5-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carbonyl)piperidin-2-one has a molecular weight of 251.33 g/mol, XLogP of -0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carbonyl)piperidin-2-one is sourced from PubChem (CID 102679338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).