8-(4-methoxy-3,3-dimethylpiperidin-1-yl)-3-methyl-7H-purine-2,6-dione

C14H21N5O3 — CID 167947110

IUPAC8-(4-methoxy-3,3-dimethylpiperidin-1-yl)-3-methyl-7H-purine-2,6-dione
SMILESCOC1CCN(c2nc3c([nH]2)c(=O)[nH]c(=O)n3C)CC1(C)C
InChIInChI=1S/C14H21N5O3/c1-14(2)7-19(6-5-8(14)22-4)12-15-9-10(16-12)18(3)13(21)17-11(9)20/h8H,5-7H2,1-4H3,(H,15,16)(H,17,20,21)
InChIKeyRRTAYWXZMNQXNP-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.20
Rot. Bonds2

About 8-(4-methoxy-3,3-dimethylpiperidin-1-yl)-3-methyl-7H-purine-2,6-dione

8-(4-methoxy-3,3-dimethylpiperidin-1-yl)-3-methyl-7H-purine-2,6-dione (PubChem CID 167947110) has the molecular formula C14H21N5O3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 8-(4-methoxy-3,3-dimethylpiperidin-1-yl)-3-methyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-(4-methoxy-3,3-dimethylpiperidin-1-yl)-3-methyl-7H-purine-2,6-dione
PubChem CID167947110
Molecular FormulaC14H21N5O3
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC Name8-(4-methoxy-3,3-dimethylpiperidin-1-yl)-3-methyl-7H-purine-2,6-dione
SMILESCOC1CCN(c2nc3c([nH]2)c(=O)[nH]c(=O)n3C)CC1(C)C
InChIInChI=1S/C14H21N5O3/c1-14(2)7-19(6-5-8(14)22-4)12-15-9-10(16-12)18(3)13(21)17-11(9)20/h8H,5-7H2,1-4H3,(H,15,16)(H,17,20,21)
InChIKeyRRTAYWXZMNQXNP-UHFFFAOYSA-N
XLogP0.20
TPSA96.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-(4-methoxy-3,3-dimethylpiperidin-1-yl)-3-methyl-7H-purine-2,6-dione with MolForge

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Related Compounds

3-methyl-8-morpholin-4-yl-7H-purine-2,6-dione
CID 840608
8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-7H-purine-2,6-dione
CID 950535
8-(3-but-2-ynylpiperazin-1-yl)-3-methyl-7H-purine-2,6-dione
CID 139980879
8-(3,3-dimethylpiperazin-1-yl)-1,3-dimethyl-7H-purine-2,6-dione
CID 82992781
3-methyl-8-piperidin-4-yl-7H-purine-2,6-dione
CID 82463934
3-methyl-8-[(3-methyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]-7H-purine-2,6-dione
CID 3103863
1-methyl-2,4,6-trioxo-5H-pteridine-7-carboxylic acid
CID 23422189
8-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-7H-purine-2,6-dione
CID 112569040
3-methyl-8-methylsulfanyl-7H-purine-2,6-dione
CID 130009999
1-(3,7-dimethyl-2,6-dioxopurin-8-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 154865228
1,3-dimethyl-8-piperazin-4-ium-1-yl-7H-purine-2,6-dione
CID 7047717
8-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-7H-purine-2,6-dione
CID 7008459

Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxy-3,3-dimethylpiperidin-1-yl)-3-methyl-7H-purine-2,6-dione?
The IUPAC name of 8-(4-methoxy-3,3-dimethylpiperidin-1-yl)-3-methyl-7H-purine-2,6-dione (CID 167947110) is 8-(4-methoxy-3,3-dimethylpiperidin-1-yl)-3-methyl-7H-purine-2,6-dione.
What is the SMILES notation for 8-(4-methoxy-3,3-dimethylpiperidin-1-yl)-3-methyl-7H-purine-2,6-dione?
The canonical SMILES for 8-(4-methoxy-3,3-dimethylpiperidin-1-yl)-3-methyl-7H-purine-2,6-dione is COC1CCN(c2nc3c([nH]2)c(=O)[nH]c(=O)n3C)CC1(C)C.
What is the InChIKey of 8-(4-methoxy-3,3-dimethylpiperidin-1-yl)-3-methyl-7H-purine-2,6-dione?
The InChIKey is RRTAYWXZMNQXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3/c1-14(2)7-19(6-5-8(14)22-4)12-15-9-10(16-12)18(3)13(21)17-11(9)20/h8H,5-7H2,1-4H3,(H,15,16)(H,17,20,21).
What are the key properties of 8-(4-methoxy-3,3-dimethylpiperidin-1-yl)-3-methyl-7H-purine-2,6-dione?
8-(4-methoxy-3,3-dimethylpiperidin-1-yl)-3-methyl-7H-purine-2,6-dione has a molecular weight of 307.35 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxy-3,3-dimethylpiperidin-1-yl)-3-methyl-7H-purine-2,6-dione is sourced from PubChem (CID 167947110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).