3,7-diethyl-1-methyl-8-piperidin-4-ylpurine-2,6-dione

C15H23N5O2 — CID 82464497

IUPAC3,7-diethyl-1-methyl-8-piperidin-4-ylpurine-2,6-dione
SMILESCCn1c(C2CCNCC2)nc2c1c(=O)n(C)c(=O)n2CC
InChIInChI=1S/C15H23N5O2/c1-4-19-11-13(17-12(19)10-6-8-16-9-7-10)20(5-2)15(22)18(3)14(11)21/h10,16H,4-9H2,1-3H3
InChIKeyYVSOEMRPRCFZPZ-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.40
Rot. Bonds3

About 3,7-diethyl-1-methyl-8-piperidin-4-ylpurine-2,6-dione

3,7-diethyl-1-methyl-8-piperidin-4-ylpurine-2,6-dione (PubChem CID 82464497) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3,7-diethyl-1-methyl-8-piperidin-4-ylpurine-2,6-dione.

Molecular Properties

Compound Name3,7-diethyl-1-methyl-8-piperidin-4-ylpurine-2,6-dione
PubChem CID82464497
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name3,7-diethyl-1-methyl-8-piperidin-4-ylpurine-2,6-dione
SMILESCCn1c(C2CCNCC2)nc2c1c(=O)n(C)c(=O)n2CC
InChIInChI=1S/C15H23N5O2/c1-4-19-11-13(17-12(19)10-6-8-16-9-7-10)20(5-2)15(22)18(3)14(11)21/h10,16H,4-9H2,1-3H3
InChIKeyYVSOEMRPRCFZPZ-UHFFFAOYSA-N
XLogP0.40
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,7-dimethyl-8-piperidin-4-yl-3-propylpurine-2,6-dione
CID 82464598
1,3-dimethyl-8-piperidin-4-yl-9-propylpurine-2,6-dione
CID 82463753
7-(3-aminopropyl)-8-cyclopropyl-1-methyl-3-propylpurine-2,6-dione
CID 82465892
4-(1-ethyl-4,5-dimethylimidazol-2-yl)piperidine
CID 82463375
3-ethyl-1,7,8-trimethylpurine-2,6-dione
CID 59939546
7-methyl-8-piperidin-4-yl-3-propylpurine-2,6-dione
CID 82464122
7-(2-aminoethyl)-8-cyclopropyl-3-(2-methoxyethyl)-1-methylpurine-2,6-dione
CID 82465978
2-methyl-5-piperidin-4-yl-4-propyl-1,2,4-triazol-3-one
CID 112707871
7-ethyl-1,3-dimethyl-8-(piperazin-1-ylmethyl)purine-2,6-dione
CID 82463879
2-(8-cyclopropyl-1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid
CID 118975757
8-cyclohexyl-3-ethyl-1-methyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine-2,6-dione
CID 54084999
7-(3-aminopropyl)-3-ethyl-1,8-dimethylpurine-2,6-dione
CID 82465806

Frequently Asked Questions

What is the IUPAC name of 3,7-diethyl-1-methyl-8-piperidin-4-ylpurine-2,6-dione?
The IUPAC name of 3,7-diethyl-1-methyl-8-piperidin-4-ylpurine-2,6-dione (CID 82464497) is 3,7-diethyl-1-methyl-8-piperidin-4-ylpurine-2,6-dione.
What is the SMILES notation for 3,7-diethyl-1-methyl-8-piperidin-4-ylpurine-2,6-dione?
The canonical SMILES for 3,7-diethyl-1-methyl-8-piperidin-4-ylpurine-2,6-dione is CCn1c(C2CCNCC2)nc2c1c(=O)n(C)c(=O)n2CC.
What is the InChIKey of 3,7-diethyl-1-methyl-8-piperidin-4-ylpurine-2,6-dione?
The InChIKey is YVSOEMRPRCFZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-4-19-11-13(17-12(19)10-6-8-16-9-7-10)20(5-2)15(22)18(3)14(11)21/h10,16H,4-9H2,1-3H3.
What are the key properties of 3,7-diethyl-1-methyl-8-piperidin-4-ylpurine-2,6-dione?
3,7-diethyl-1-methyl-8-piperidin-4-ylpurine-2,6-dione has a molecular weight of 305.38 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-diethyl-1-methyl-8-piperidin-4-ylpurine-2,6-dione is sourced from PubChem (CID 82464497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).