3-methyl-7-[3-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]propyl]purine-2,6-dione

C18H25N7O3 — CID 14748483

About 3-methyl-7-[3-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]propyl]purine-2,6-dione

3-methyl-7-[3-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]propyl]purine-2,6-dione (PubChem CID 14748483) has the molecular formula C18H25N7O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-methyl-7-[3-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]propyl]purine-2,6-dione.

Molecular Properties

• Compound Name: 3-methyl-7-[3-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]propyl]purine-2,6-dione
• PubChem CID: 14748483
• Molecular Formula: C18H25N7O3
• Molecular Weight: 387.44 g/mol
• Exact Mass: 387.20
• IUPAC Name: 3-methyl-7-[3-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]propyl]purine-2,6-dione
• SMILES: Cn1c(=O)[nH]c(=O)c2c1ncn2CCCc1noc(CCN2CCCCC2)n1
• InChI: InChI=1S/C18H25N7O3/c1-23-16-15(17(26)21-18(23)27)25(12-19-16)10-5-6-13-20-14(28-22-13)7-11-24-8-3-2-4-9-24/h12H,2-11H2,1H3,(H,21,26,27)
• InChIKey: UFNRUNUTUDGYNK-UHFFFAOYSA-N
• XLogP: 0.47
• TPSA: 114.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.44
LogP ≤ 5	0.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[3-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]propyl]purine-2,6-dione?

The IUPAC name of 3-methyl-7-[3-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]propyl]purine-2,6-dione (CID 14748483) is 3-methyl-7-[3-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]propyl]purine-2,6-dione.

What is the SMILES notation for 3-methyl-7-[3-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]propyl]purine-2,6-dione?

The canonical SMILES for 3-methyl-7-[3-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]propyl]purine-2,6-dione is Cn1c(=O)[nH]c(=O)c2c1ncn2CCCc1noc(CCN2CCCCC2)n1.

What is the InChIKey of 3-methyl-7-[3-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]propyl]purine-2,6-dione?

The InChIKey is UFNRUNUTUDGYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O3/c1-23-16-15(17(26)21-18(23)27)25(12-19-16)10-5-6-13-20-14(28-22-13)7-11-24-8-3-2-4-9-24/h12H,2-11H2,1H3,(H,21,26,27).

What are the key properties of 3-methyl-7-[3-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]propyl]purine-2,6-dione?

3-methyl-7-[3-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]propyl]purine-2,6-dione has a molecular weight of 387.44 g/mol, XLogP of 0.47, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-7-[3-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]propyl]purine-2,6-dione is sourced from PubChem (CID 14748483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).