7-methyl-2-piperidin-4-yl-1H-purin-6-one

C11H15N5O — CID 136922648

IUPAC7-methyl-2-piperidin-4-yl-1H-purin-6-one
SMILESCn1cnc2nc(C3CCNCC3)[nH]c(=O)c21
InChIInChI=1S/C11H15N5O/c1-16-6-13-10-8(16)11(17)15-9(14-10)7-2-4-12-5-3-7/h6-7,12H,2-5H2,1H3,(H,14,15,17)
InChIKeyDNURTJNQAWNVPJ-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.12
Rot. Bonds1

About 7-methyl-2-piperidin-4-yl-1H-purin-6-one

7-methyl-2-piperidin-4-yl-1H-purin-6-one (PubChem CID 136922648) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 7-methyl-2-piperidin-4-yl-1H-purin-6-one.

Molecular Properties

Compound Name7-methyl-2-piperidin-4-yl-1H-purin-6-one
PubChem CID136922648
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name7-methyl-2-piperidin-4-yl-1H-purin-6-one
SMILESCn1cnc2nc(C3CCNCC3)[nH]c(=O)c21
InChIInChI=1S/C11H15N5O/c1-16-6-13-10-8(16)11(17)15-9(14-10)7-2-4-12-5-3-7/h6-7,12H,2-5H2,1H3,(H,14,15,17)
InChIKeyDNURTJNQAWNVPJ-UHFFFAOYSA-N
XLogP0.12
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-piperidin-4-yl-4H-1,2,4-triazol-3-one
CID 136966014
3-methyl-8-piperidin-4-yl-7H-purine-2,6-dione
CID 82463934
4-(1,5-dimethylimidazol-4-yl)piperidine
CID 84657143
7-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]-1H-purin-6-one
CID 166341549
6,7-dimethoxy-2-piperidin-4-yl-3H-quinazolin-4-one
CID 135853225
2-(azepan-4-yl)-5-ethyl-1H-pyrimidin-6-one
CID 84686967
1-methyl-5-piperidin-4-ylpyrimidin-2-one;hydrochloride
CID 158431188
3-methyl-7-piperidin-4-ylpurine-2,6-dione
CID 82465471
4-hydroxy-5-phenyl-2-piperidin-4-yl-1H-pyrimidin-6-one
CID 65431755
3,7-dimethyl-8-pyrrolidin-3-ylpurine-2,6-dione
CID 82466111
7-methyl-2-[3-(oxolan-3-ylmethyl)pyrrolidin-1-yl]-1H-purin-6-one
CID 166373770
7-methyl-8-piperidin-4-yl-3-propylpurine-2,6-dione
CID 82464122

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-piperidin-4-yl-1H-purin-6-one?
The IUPAC name of 7-methyl-2-piperidin-4-yl-1H-purin-6-one (CID 136922648) is 7-methyl-2-piperidin-4-yl-1H-purin-6-one.
What is the SMILES notation for 7-methyl-2-piperidin-4-yl-1H-purin-6-one?
The canonical SMILES for 7-methyl-2-piperidin-4-yl-1H-purin-6-one is Cn1cnc2nc(C3CCNCC3)[nH]c(=O)c21.
What is the InChIKey of 7-methyl-2-piperidin-4-yl-1H-purin-6-one?
The InChIKey is DNURTJNQAWNVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-16-6-13-10-8(16)11(17)15-9(14-10)7-2-4-12-5-3-7/h6-7,12H,2-5H2,1H3,(H,14,15,17).
What are the key properties of 7-methyl-2-piperidin-4-yl-1H-purin-6-one?
7-methyl-2-piperidin-4-yl-1H-purin-6-one has a molecular weight of 233.27 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-piperidin-4-yl-1H-purin-6-one is sourced from PubChem (CID 136922648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).