8-(3-aminopiperidin-1-yl)-7-benzyl-1-methyl-3-(2-trimethylsilylethoxymethyl)purine-2,6-dione

C24H36N6O3Si — CID 57498802

IUPAC8-(3-aminopiperidin-1-yl)-7-benzyl-1-methyl-3-(2-trimethylsilylethoxymethyl)purine-2,6-dione
SMILESCn1c(=O)c2c(nc(N3CCCC(N)C3)n2Cc2ccccc2)n(COCC[Si](C)(C)C)c1=O
InChIInChI=1S/C24H36N6O3Si/c1-27-22(31)20-21(30(24(27)32)17-33-13-14-34(2,3)4)26-23(28-12-8-11-19(25)16-28)29(20)15-18-9-6-5-7-10-18/h5-7,9-10,19H,8,11-17,25H2,1-4H3
InChIKeyLQQZGNLFRFAKHZ-UHFFFAOYSA-N
MW484.68 g/mol
LogP2.18
Rot. Bonds8

About 8-(3-aminopiperidin-1-yl)-7-benzyl-1-methyl-3-(2-trimethylsilylethoxymethyl)purine-2,6-dione

8-(3-aminopiperidin-1-yl)-7-benzyl-1-methyl-3-(2-trimethylsilylethoxymethyl)purine-2,6-dione (PubChem CID 57498802) has the molecular formula C24H36N6O3Si and a molecular weight of 484.68 g/mol. Its IUPAC name is 8-(3-aminopiperidin-1-yl)-7-benzyl-1-methyl-3-(2-trimethylsilylethoxymethyl)purine-2,6-dione.

Molecular Properties

Compound Name8-(3-aminopiperidin-1-yl)-7-benzyl-1-methyl-3-(2-trimethylsilylethoxymethyl)purine-2,6-dione
PubChem CID57498802
Molecular FormulaC24H36N6O3Si
Molecular Weight484.68 g/mol
Exact Mass484.26
IUPAC Name8-(3-aminopiperidin-1-yl)-7-benzyl-1-methyl-3-(2-trimethylsilylethoxymethyl)purine-2,6-dione
SMILESCn1c(=O)c2c(nc(N3CCCC(N)C3)n2Cc2ccccc2)n(COCC[Si](C)(C)C)c1=O
InChIInChI=1S/C24H36N6O3Si/c1-27-22(31)20-21(30(24(27)32)17-33-13-14-34(2,3)4)26-23(28-12-8-11-19(25)16-28)29(20)15-18-9-6-5-7-10-18/h5-7,9-10,19H,8,11-17,25H2,1-4H3
InChIKeyLQQZGNLFRFAKHZ-UHFFFAOYSA-N
XLogP2.18
TPSA100.31 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.68
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 8-(3-aminopiperidin-1-yl)-7-benzyl-1-methyl-3-(2-trimethylsilylethoxymethyl)purine-2,6-dione with MolForge

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Related Compounds

8-(3-aminopiperidin-1-yl)-1-methyl-7-(2-phenylethyl)-3-propylpurine-2,6-dione
CID 174466994
8-(3-aminoazepan-1-yl)-7-benzyl-1,3-dimethylpurine-2,6-dione;8-[(3S)-3-aminopyrrolidin-1-yl]-7-[(2-iodophenyl)methyl]-1,3-dimethylpurine-2,6-dione
CID 157165885
8-(3-aminopiperidin-1-yl)-7-benzyl-1-methyl-2-methylsulfanylpurin-6-one;hydrochloride
CID 68858797
8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione
CID 22508582
8-(3-aminopiperidin-1-yl)-7-benzyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione
CID 67155598
8-(3-aminopiperidin-1-yl)-7-[(3,5-difluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
CID 22508570
8-(3-aminopiperidin-1-yl)-1-benzyl-7-but-2-ynyl-3-phenylpurine-2,6-dione
CID 68682309
8-(3-aminopiperidin-1-yl)-7-benzyl-1-methyl-2-(2-phenoxyethylamino)purin-6-one
CID 68859347
2-[(3S)-3-aminopiperidin-1-yl]-3-benzyl-5,6-dimethylimidazo[4,5-d]pyridazine-4,7-dione;dihydrochloride
CID 11339674
3-benzyl-8-cyclopentyl-1-propyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione
CID 10528812
3-(1-amino-2-methylpropan-2-yl)-8-(3-aminopiperidin-1-yl)-1-methyl-7-(2-phenylethyl)purine-2,6-dione
CID 174467025
8-(3-aminopiperidin-1-yl)-3-(2-ethoxyethyl)-1-methyl-7-(3-methylbut-2-enyl)purine-2,6-dione
CID 57499202

Frequently Asked Questions

What is the IUPAC name of 8-(3-aminopiperidin-1-yl)-7-benzyl-1-methyl-3-(2-trimethylsilylethoxymethyl)purine-2,6-dione?
The IUPAC name of 8-(3-aminopiperidin-1-yl)-7-benzyl-1-methyl-3-(2-trimethylsilylethoxymethyl)purine-2,6-dione (CID 57498802) is 8-(3-aminopiperidin-1-yl)-7-benzyl-1-methyl-3-(2-trimethylsilylethoxymethyl)purine-2,6-dione.
What is the SMILES notation for 8-(3-aminopiperidin-1-yl)-7-benzyl-1-methyl-3-(2-trimethylsilylethoxymethyl)purine-2,6-dione?
The canonical SMILES for 8-(3-aminopiperidin-1-yl)-7-benzyl-1-methyl-3-(2-trimethylsilylethoxymethyl)purine-2,6-dione is Cn1c(=O)c2c(nc(N3CCCC(N)C3)n2Cc2ccccc2)n(COCC[Si](C)(C)C)c1=O.
What is the InChIKey of 8-(3-aminopiperidin-1-yl)-7-benzyl-1-methyl-3-(2-trimethylsilylethoxymethyl)purine-2,6-dione?
The InChIKey is LQQZGNLFRFAKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O3Si/c1-27-22(31)20-21(30(24(27)32)17-33-13-14-34(2,3)4)26-23(28-12-8-11-19(25)16-28)29(20)15-18-9-6-5-7-10-18/h5-7,9-10,19H,8,11-17,25H2,1-4H3.
What are the key properties of 8-(3-aminopiperidin-1-yl)-7-benzyl-1-methyl-3-(2-trimethylsilylethoxymethyl)purine-2,6-dione?
8-(3-aminopiperidin-1-yl)-7-benzyl-1-methyl-3-(2-trimethylsilylethoxymethyl)purine-2,6-dione has a molecular weight of 484.68 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-aminopiperidin-1-yl)-7-benzyl-1-methyl-3-(2-trimethylsilylethoxymethyl)purine-2,6-dione is sourced from PubChem (CID 57498802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).