2-[1,3-dimethyl-8-[[(3R)-3-methylpiperidin-1-yl]methyl]-2,6-dioxopurin-7-yl]acetamide

C16H24N6O3 — CID 767630

IUPAC2-[1,3-dimethyl-8-[[(3R)-3-methylpiperidin-1-yl]methyl]-2,6-dioxopurin-7-yl]acetamide
SMILESC[C@@H]1CCCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CC(N)=O)C1
InChIInChI=1S/C16H24N6O3/c1-10-5-4-6-21(7-10)9-12-18-14-13(22(12)8-11(17)23)15(24)20(3)16(25)19(14)2/h10H,4-9H2,1-3H3,(H2,17,23)/t10-/m1/s1
InChIKeyAJHXRHYBJDHPRB-SNVBAGLBSA-N
MW348.41 g/mol
LogP-0.85
Rot. Bonds4

About 2-[1,3-dimethyl-8-[[(3R)-3-methylpiperidin-1-yl]methyl]-2,6-dioxopurin-7-yl]acetamide

2-[1,3-dimethyl-8-[[(3R)-3-methylpiperidin-1-yl]methyl]-2,6-dioxopurin-7-yl]acetamide (PubChem CID 767630) has the molecular formula C16H24N6O3 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-[1,3-dimethyl-8-[[(3R)-3-methylpiperidin-1-yl]methyl]-2,6-dioxopurin-7-yl]acetamide.

Molecular Properties

Compound Name2-[1,3-dimethyl-8-[[(3R)-3-methylpiperidin-1-yl]methyl]-2,6-dioxopurin-7-yl]acetamide
PubChem CID767630
Molecular FormulaC16H24N6O3
Molecular Weight348.41 g/mol
Exact Mass348.19
IUPAC Name2-[1,3-dimethyl-8-[[(3R)-3-methylpiperidin-1-yl]methyl]-2,6-dioxopurin-7-yl]acetamide
SMILESC[C@@H]1CCCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CC(N)=O)C1
InChIInChI=1S/C16H24N6O3/c1-10-5-4-6-21(7-10)9-12-18-14-13(22(12)8-11(17)23)15(24)20(3)16(25)19(14)2/h10H,4-9H2,1-3H3,(H2,17,23)/t10-/m1/s1
InChIKeyAJHXRHYBJDHPRB-SNVBAGLBSA-N
XLogP-0.85
TPSA108.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[1,3-dimethyl-8-[[(3R)-3-methylpiperidin-1-yl]methyl]-2,6-dioxopurin-7-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-dimethyl-8-[(3-methylpiperidin-1-yl)methyl]-7-(2-methylpropyl)purine-2,6-dione
CID 3622090
7-[[(1S,6S)-2,6-dichlorocyclohexa-2,4-dien-1-yl]methyl]-1,3-dimethyl-8-[[(3R)-3-methylpiperidin-1-yl]methyl]purine-2,6-dione
CID 100823179
8-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-dimethyl-7-(2-oxopropyl)purine-2,6-dione
CID 666639
ethyl 2-[8-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate
CID 7219674
1,3-dimethyl-7-(3-methylbutyl)-8-[(4-methylpiperidin-1-yl)methyl]purine-2,6-dione
CID 4999777
8-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-dimethyl-7-pentylpurine-2,6-dione
CID 4160515
8-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-7-(3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione
CID 25339854
8-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione
CID 25339969
2-[8-(azepan-1-yl)-1,3-dimethyl-2,6-dioxopurin-7-yl]acetamide
CID 16805311
7-[(2R)-2,3-dihydroxypropyl]-8-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione
CID 42365485
8-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione
CID 666540
1,3-dimethyl-8-(3-methylpiperidin-1-yl)-7-(2-methylpropyl)purine-2,6-dione
CID 16802682

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-dimethyl-8-[[(3R)-3-methylpiperidin-1-yl]methyl]-2,6-dioxopurin-7-yl]acetamide?
The IUPAC name of 2-[1,3-dimethyl-8-[[(3R)-3-methylpiperidin-1-yl]methyl]-2,6-dioxopurin-7-yl]acetamide (CID 767630) is 2-[1,3-dimethyl-8-[[(3R)-3-methylpiperidin-1-yl]methyl]-2,6-dioxopurin-7-yl]acetamide.
What is the SMILES notation for 2-[1,3-dimethyl-8-[[(3R)-3-methylpiperidin-1-yl]methyl]-2,6-dioxopurin-7-yl]acetamide?
The canonical SMILES for 2-[1,3-dimethyl-8-[[(3R)-3-methylpiperidin-1-yl]methyl]-2,6-dioxopurin-7-yl]acetamide is C[C@@H]1CCCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CC(N)=O)C1.
What is the InChIKey of 2-[1,3-dimethyl-8-[[(3R)-3-methylpiperidin-1-yl]methyl]-2,6-dioxopurin-7-yl]acetamide?
The InChIKey is AJHXRHYBJDHPRB-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H24N6O3/c1-10-5-4-6-21(7-10)9-12-18-14-13(22(12)8-11(17)23)15(24)20(3)16(25)19(14)2/h10H,4-9H2,1-3H3,(H2,17,23)/t10-/m1/s1.
What are the key properties of 2-[1,3-dimethyl-8-[[(3R)-3-methylpiperidin-1-yl]methyl]-2,6-dioxopurin-7-yl]acetamide?
2-[1,3-dimethyl-8-[[(3R)-3-methylpiperidin-1-yl]methyl]-2,6-dioxopurin-7-yl]acetamide has a molecular weight of 348.41 g/mol, XLogP of -0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-dimethyl-8-[[(3R)-3-methylpiperidin-1-yl]methyl]-2,6-dioxopurin-7-yl]acetamide is sourced from PubChem (CID 767630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).