7-[2-[3-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione

C16H24N6O3 — CID 46898190

IUPAC7-[2-[3-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
SMILESCN(C)C1CCCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1
InChIInChI=1S/C16H24N6O3/c1-18(2)11-6-5-7-21(8-11)12(23)9-22-10-17-14-13(22)15(24)20(4)16(25)19(14)3/h10-11H,5-9H2,1-4H3
InChIKeyKFXKOOPTAKXYLB-UHFFFAOYSA-N
MW348.41 g/mol
LogP-1.01
Rot. Bonds3

About 7-[2-[3-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione

7-[2-[3-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione (PubChem CID 46898190) has the molecular formula C16H24N6O3 and a molecular weight of 348.41 g/mol. Its IUPAC name is 7-[2-[3-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name7-[2-[3-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
PubChem CID46898190
Molecular FormulaC16H24N6O3
Molecular Weight348.41 g/mol
Exact Mass348.19
IUPAC Name7-[2-[3-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
SMILESCN(C)C1CCCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1
InChIInChI=1S/C16H24N6O3/c1-18(2)11-6-5-7-21(8-11)12(23)9-22-10-17-14-13(22)15(24)20(4)16(25)19(14)3/h10-11H,5-9H2,1-4H3
InChIKeyKFXKOOPTAKXYLB-UHFFFAOYSA-N
XLogP-1.01
TPSA85.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 5-1.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-[2-[3-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione with MolForge

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Related Compounds

(3S)-1-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]piperidine-3-carboxylic acid
CID 92659273
7-[2-[3-(4-fluorophenyl)azepan-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
CID 90608828
7-[2-[3-(4-chlorophenyl)azepan-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
CID 121146596
4-[1-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256827
7-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
CID 40809617
ethyl 4-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]piperazine-1-carboxylate
CID 1116251
N-cyclohexyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-hydroxyethyl)acetamide
CID 69080558
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 40656576
1,3-dimethyl-7-[2-oxo-2-(4-thiophen-3-ylpiperidin-1-yl)ethyl]purine-2,6-dione
CID 90522411
1,3-dimethyl-7-[2-oxo-2-[4-(triazol-1-yl)piperidin-1-yl]ethyl]purine-2,6-dione
CID 121151310
1,3-dimethyl-7-[2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)ethyl]purine-2,6-dione
CID 90559993
1,3-dimethyl-7-[2-oxo-2-(3-quinolin-2-yloxyazetidin-1-yl)ethyl]purine-2,6-dione
CID 122250416

Frequently Asked Questions

What is the IUPAC name of 7-[2-[3-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione?
The IUPAC name of 7-[2-[3-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione (CID 46898190) is 7-[2-[3-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione.
What is the SMILES notation for 7-[2-[3-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione?
The canonical SMILES for 7-[2-[3-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione is CN(C)C1CCCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1.
What is the InChIKey of 7-[2-[3-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione?
The InChIKey is KFXKOOPTAKXYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O3/c1-18(2)11-6-5-7-21(8-11)12(23)9-22-10-17-14-13(22)15(24)20(4)16(25)19(14)3/h10-11H,5-9H2,1-4H3.
What are the key properties of 7-[2-[3-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione?
7-[2-[3-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione has a molecular weight of 348.41 g/mol, XLogP of -1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[3-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione is sourced from PubChem (CID 46898190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).