7-(2-methoxyethyl)-3-methyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione

C14H23N5O3 — CID 78296213

IUPAC7-(2-methoxyethyl)-3-methyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione
SMILESCOCCN1C(N2CCCCC2)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C14H23N5O3/c1-17-11-10(12(20)16-14(17)21)19(8-9-22-2)13(15-11)18-6-4-3-5-7-18/h10-11H,3-9H2,1-2H3,(H,16,20,21)
InChIKeyCFGIQBUOZZUALQ-UHFFFAOYSA-N
MW309.37 g/mol
LogP-0.33
Rot. Bonds3

About 7-(2-methoxyethyl)-3-methyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione

7-(2-methoxyethyl)-3-methyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione (PubChem CID 78296213) has the molecular formula C14H23N5O3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 7-(2-methoxyethyl)-3-methyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name7-(2-methoxyethyl)-3-methyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione
PubChem CID78296213
Molecular FormulaC14H23N5O3
Molecular Weight309.37 g/mol
Exact Mass309.18
IUPAC Name7-(2-methoxyethyl)-3-methyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione
SMILESCOCCN1C(N2CCCCC2)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C14H23N5O3/c1-17-11-10(12(20)16-14(17)21)19(8-9-22-2)13(15-11)18-6-4-3-5-7-18/h10-11H,3-9H2,1-2H3,(H,16,20,21)
InChIKeyCFGIQBUOZZUALQ-UHFFFAOYSA-N
XLogP-0.33
TPSA77.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,7-Trimethyl-8-[(2-morpholinoethyl)amino]-3,4,5,7-tetrahydro-1H-purine-2,6-dione
CID 135490196
7-cyclohexyl-1,3,4-trimethyl-8-piperazin-1-yl-5H-purine-2,6-dione
CID 70129820
N,N-diethyl-5-methoxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide
CID 142690130
3-bromo-5-methoxy-9-piperidin-4-yl-4H-purine-2,6-dione
CID 142690144
8-(3-aminopiperidin-1-yl)-7-cyclopropyl-1,3,4-trimethyl-5H-purine-2,6-dione
CID 174454813
8-(3-aminopiperidin-1-yl)-7-cyclopentyl-1,3,4-trimethyl-5H-purine-2,6-dione
CID 174466931
1,3,7-trimethyl-8-(2-morpholin-4-ium-4-ylethylamino)-5,9-dihydro-4H-purin-7-ium-2,6-dione
CID 4090639
1,3,7-trimethyl-8-(2-morpholin-4-ylethylamino)-5,9-dihydro-4H-purin-7-ium-2,6-dione
CID 4090640
(4S,5R)-1,3,7-trimethyl-8-(2-morpholin-4-ium-4-ylethylamino)-5,9-dihydro-4H-purin-7-ium-2,6-dione
CID 6936424
(4S,5R)-1,3,7-trimethyl-8-(2-morpholin-4-ylethylamino)-5,9-dihydro-4H-purin-7-ium-2,6-dione
CID 6936425
(4R,5R)-1,3,7-trimethyl-8-(2-morpholin-4-ium-4-ylethylamino)-5,9-dihydro-4H-purin-7-ium-2,6-dione
CID 6936426
(4R,5R)-1,3,7-trimethyl-8-(2-morpholin-4-ylethylamino)-5,9-dihydro-4H-purin-7-ium-2,6-dione
CID 6936427

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethyl)-3-methyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione?
The IUPAC name of 7-(2-methoxyethyl)-3-methyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione (CID 78296213) is 7-(2-methoxyethyl)-3-methyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 7-(2-methoxyethyl)-3-methyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 7-(2-methoxyethyl)-3-methyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione is COCCN1C(N2CCCCC2)=NC2C1C(=O)NC(=O)N2C.
What is the InChIKey of 7-(2-methoxyethyl)-3-methyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione?
The InChIKey is CFGIQBUOZZUALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3/c1-17-11-10(12(20)16-14(17)21)19(8-9-22-2)13(15-11)18-6-4-3-5-7-18/h10-11H,3-9H2,1-2H3,(H,16,20,21).
What are the key properties of 7-(2-methoxyethyl)-3-methyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione?
7-(2-methoxyethyl)-3-methyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione has a molecular weight of 309.37 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethyl)-3-methyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 78296213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).