7-methyl-9-piperidin-4-ylpurin-8-one

C11H15N5O — CID 53181182

IUPAC7-methyl-9-piperidin-4-ylpurin-8-one
SMILESCn1c(=O)n(C2CCNCC2)c2ncncc21
InChIInChI=1S/C11H15N5O/c1-15-9-6-13-7-14-10(9)16(11(15)17)8-2-4-12-5-3-8/h6-8,12H,2-5H2,1H3
InChIKeyOVSZGNGEWPEKPG-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.05
Rot. Bonds1

About 7-methyl-9-piperidin-4-ylpurin-8-one

7-methyl-9-piperidin-4-ylpurin-8-one (PubChem CID 53181182) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 7-methyl-9-piperidin-4-ylpurin-8-one.

Molecular Properties

Compound Name7-methyl-9-piperidin-4-ylpurin-8-one
PubChem CID53181182
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name7-methyl-9-piperidin-4-ylpurin-8-one
SMILESCn1c(=O)n(C2CCNCC2)c2ncncc21
InChIInChI=1S/C11H15N5O/c1-15-9-6-13-7-14-10(9)16(11(15)17)8-2-4-12-5-3-8/h6-8,12H,2-5H2,1H3
InChIKeyOVSZGNGEWPEKPG-UHFFFAOYSA-N
XLogP0.05
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-9-piperidin-4-ylpurin-8-one?
The IUPAC name of 7-methyl-9-piperidin-4-ylpurin-8-one (CID 53181182) is 7-methyl-9-piperidin-4-ylpurin-8-one.
What is the SMILES notation for 7-methyl-9-piperidin-4-ylpurin-8-one?
The canonical SMILES for 7-methyl-9-piperidin-4-ylpurin-8-one is Cn1c(=O)n(C2CCNCC2)c2ncncc21.
What is the InChIKey of 7-methyl-9-piperidin-4-ylpurin-8-one?
The InChIKey is OVSZGNGEWPEKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-15-9-6-13-7-14-10(9)16(11(15)17)8-2-4-12-5-3-8/h6-8,12H,2-5H2,1H3.
What are the key properties of 7-methyl-9-piperidin-4-ylpurin-8-one?
7-methyl-9-piperidin-4-ylpurin-8-one has a molecular weight of 233.27 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-9-piperidin-4-ylpurin-8-one is sourced from PubChem (CID 53181182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).