4-piperidin-1-yl-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one

C11H16N4O — CID 83863067

IUPAC4-piperidin-1-yl-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one
SMILESO=c1nc(N2CCCCC2)c2c([nH]1)CNC2
InChIInChI=1S/C11H16N4O/c16-11-13-9-7-12-6-8(9)10(14-11)15-4-2-1-3-5-15/h12H,1-7H2,(H,13,14,16)
InChIKeyNUOLWQJVDMUYRY-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.36
Rot. Bonds1

About 4-piperidin-1-yl-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one

4-piperidin-1-yl-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one (PubChem CID 83863067) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 4-piperidin-1-yl-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-piperidin-1-yl-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one
PubChem CID83863067
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name4-piperidin-1-yl-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one
SMILESO=c1nc(N2CCCCC2)c2c([nH]1)CNC2
InChIInChI=1S/C11H16N4O/c16-11-13-9-7-12-6-8(9)10(14-11)15-4-2-1-3-5-15/h12H,1-7H2,(H,13,14,16)
InChIKeyNUOLWQJVDMUYRY-UHFFFAOYSA-N
XLogP0.36
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one?
The IUPAC name of 4-piperidin-1-yl-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one (CID 83863067) is 4-piperidin-1-yl-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one.
What is the SMILES notation for 4-piperidin-1-yl-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one?
The canonical SMILES for 4-piperidin-1-yl-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one is O=c1nc(N2CCCCC2)c2c([nH]1)CNC2.
What is the InChIKey of 4-piperidin-1-yl-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one?
The InChIKey is NUOLWQJVDMUYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c16-11-13-9-7-12-6-8(9)10(14-11)15-4-2-1-3-5-15/h12H,1-7H2,(H,13,14,16).
What are the key properties of 4-piperidin-1-yl-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one?
4-piperidin-1-yl-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one has a molecular weight of 220.28 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one is sourced from PubChem (CID 83863067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).