8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione

C15H24N6O2 — CID 57499233

IUPAC8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione
SMILESCC(C)n1c(N2CCCC(N)C2)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C15H24N6O2/c1-9(2)21-11-12(18(3)15(23)19(4)13(11)22)17-14(21)20-7-5-6-10(16)8-20/h9-10H,5-8,16H2,1-4H3
InChIKeyFHJIQCJCDOZGFM-UHFFFAOYSA-N
MW320.40 g/mol
LogP-0.06
Rot. Bonds2

About 8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione

8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione (PubChem CID 57499233) has the molecular formula C15H24N6O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione.

Molecular Properties

Compound Name8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione
PubChem CID57499233
Molecular FormulaC15H24N6O2
Molecular Weight320.40 g/mol
Exact Mass320.20
IUPAC Name8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione
SMILESCC(C)n1c(N2CCCC(N)C2)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C15H24N6O2/c1-9(2)21-11-12(18(3)15(23)19(4)13(11)22)17-14(21)20-7-5-6-10(16)8-20/h9-10H,5-8,16H2,1-4H3
InChIKeyFHJIQCJCDOZGFM-UHFFFAOYSA-N
XLogP-0.06
TPSA91.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione with MolForge

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Related Compounds

8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-pent-2-ynylpurine-2,6-dione
CID 57498953
8-(3-aminopiperidin-1-yl)-7-[(3,5-difluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
CID 22508570
8-(3-aminopiperidin-1-yl)-7-(2-chlorobut-2-enyl)-1,3-dimethylpurine-2,6-dione
CID 90809123
8-(3-aminopiperidin-1-yl)-7-hex-2-enyl-1,3-dimethylpurine-2,6-dione
CID 66724021
8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione
CID 22508582
8-(3-aminopiperidin-1-yl)-7-(cyclohexen-1-ylmethyl)-1,3-dimethylpurine-2,6-dione
CID 57499262
8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-1-[1-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-methylpurine-2,6-dione
CID 174991110
3-[8-(3-aminopiperidin-1-yl)-1,3-dimethyl-2,6-dioxopurin-7-yl]benzonitrile;N,N-dimethylformamide
CID 157222749
1,3-dimethyl-8-(3-methylpiperidin-1-yl)-7-(2-methylpropyl)purine-2,6-dione
CID 16802682
8-(azepan-1-yl)-1,3-dimethyl-7-[(2S)-3-oxobutan-2-yl]purine-2,6-dione
CID 752618
8-(azepan-1-yl)-1,3-dimethyl-7-(3-oxobutan-2-yl)purine-2,6-dione
CID 3137578
2-(3-aminopiperidin-1-yl)-3,5,6-trimethylpyrimidin-4-one
CID 102549305

Frequently Asked Questions

What is the IUPAC name of 8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione?
The IUPAC name of 8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione (CID 57499233) is 8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione.
What is the SMILES notation for 8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione?
The canonical SMILES for 8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione is CC(C)n1c(N2CCCC(N)C2)nc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione?
The InChIKey is FHJIQCJCDOZGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O2/c1-9(2)21-11-12(18(3)15(23)19(4)13(11)22)17-14(21)20-7-5-6-10(16)8-20/h9-10H,5-8,16H2,1-4H3.
What are the key properties of 8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione?
8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione has a molecular weight of 320.40 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione is sourced from PubChem (CID 57499233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).