8-[1-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidin-3-yl]-1,3-dimethyl-7H-purine-2,6-dione

C23H25N5O4 — CID 91948203

IUPAC8-[1-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidin-3-yl]-1,3-dimethyl-7H-purine-2,6-dione
SMILESCc1ccc2c(C)c(C(=O)N3CCCC(c4nc5c([nH]4)c(=O)n(C)c(=O)n5C)C3)oc2c1
InChIInChI=1S/C23H25N5O4/c1-12-7-8-15-13(2)18(32-16(15)10-12)22(30)28-9-5-6-14(11-28)19-24-17-20(25-19)26(3)23(31)27(4)21(17)29/h7-8,10,14H,5-6,9,11H2,1-4H3,(H,24,25)
InChIKeyGOQUNGVFIWINJV-UHFFFAOYSA-N
MW435.48 g/mol
LogP2.34
Rot. Bonds2

About 8-[1-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidin-3-yl]-1,3-dimethyl-7H-purine-2,6-dione

8-[1-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidin-3-yl]-1,3-dimethyl-7H-purine-2,6-dione (PubChem CID 91948203) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is 8-[1-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidin-3-yl]-1,3-dimethyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-[1-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidin-3-yl]-1,3-dimethyl-7H-purine-2,6-dione
PubChem CID91948203
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name8-[1-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidin-3-yl]-1,3-dimethyl-7H-purine-2,6-dione
SMILESCc1ccc2c(C)c(C(=O)N3CCCC(c4nc5c([nH]4)c(=O)n(C)c(=O)n5C)C3)oc2c1
InChIInChI=1S/C23H25N5O4/c1-12-7-8-15-13(2)18(32-16(15)10-12)22(30)28-9-5-6-14(11-28)19-24-17-20(25-19)26(3)23(31)27(4)21(17)29/h7-8,10,14H,5-6,9,11H2,1-4H3,(H,24,25)
InChIKeyGOQUNGVFIWINJV-UHFFFAOYSA-N
XLogP2.34
TPSA106.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-[1-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidin-3-yl]-1,3-dimethyl-7H-purine-2,6-dione with MolForge

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Related Compounds

8-[1-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,3-dimethyl-7H-purine-2,6-dione
CID 91948304
1,3-dimethyl-8-[1-(3,5,6-trimethyl-1-benzofuran-2-carbonyl)piperidin-3-yl]-7H-purine-2,6-dione
CID 91948205
1,3-dimethyl-8-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-7H-purine-2,6-dione
CID 91948252
3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-(2-methylphenyl)piperidine-1-carboxamide
CID 91948260
1,3-dimethyl-8-[1-(oxolane-2-carbonyl)piperidin-3-yl]-7H-purine-2,6-dione
CID 91948277
4-[(3R)-1-(3,5-dimethyl-1-benzofuran-2-carbonyl)piperidin-3-yl]-2-(1-methylpiperidin-4-yl)-1H-pyrimidin-6-one
CID 136861024
1,3-dimethyl-8-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)acetyl]piperidin-3-yl]-7H-purine-2,6-dione
CID 91948195
(3-methyl-1-benzofuran-2-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 124970480
6-(3,6-dimethyl-1-benzofuran-2-carbonyl)-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 70713832
8-[1-(benzenesulfonyl)piperidin-3-yl]-1,3-dimethyl-7H-purine-2,6-dione
CID 91948279
8-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-1,3-dimethyl-7H-purine-2,6-dione
CID 91948378
1,3-dimethyl-8-[1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-7H-purine-2,6-dione
CID 91948312

Frequently Asked Questions

What is the IUPAC name of 8-[1-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidin-3-yl]-1,3-dimethyl-7H-purine-2,6-dione?
The IUPAC name of 8-[1-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidin-3-yl]-1,3-dimethyl-7H-purine-2,6-dione (CID 91948203) is 8-[1-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidin-3-yl]-1,3-dimethyl-7H-purine-2,6-dione.
What is the SMILES notation for 8-[1-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidin-3-yl]-1,3-dimethyl-7H-purine-2,6-dione?
The canonical SMILES for 8-[1-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidin-3-yl]-1,3-dimethyl-7H-purine-2,6-dione is Cc1ccc2c(C)c(C(=O)N3CCCC(c4nc5c([nH]4)c(=O)n(C)c(=O)n5C)C3)oc2c1.
What is the InChIKey of 8-[1-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidin-3-yl]-1,3-dimethyl-7H-purine-2,6-dione?
The InChIKey is GOQUNGVFIWINJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-12-7-8-15-13(2)18(32-16(15)10-12)22(30)28-9-5-6-14(11-28)19-24-17-20(25-19)26(3)23(31)27(4)21(17)29/h7-8,10,14H,5-6,9,11H2,1-4H3,(H,24,25).
What are the key properties of 8-[1-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidin-3-yl]-1,3-dimethyl-7H-purine-2,6-dione?
8-[1-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidin-3-yl]-1,3-dimethyl-7H-purine-2,6-dione has a molecular weight of 435.48 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidin-3-yl]-1,3-dimethyl-7H-purine-2,6-dione is sourced from PubChem (CID 91948203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).