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

C17H23N7O3 — CID 14748461

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

3-methyl-7-[2-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethyl]purine-2,6-dione (PubChem CID 14748461) has the molecular formula C17H23N7O3 and a molecular weight of 373.42 g/mol. Its IUPAC name is 3-methyl-7-[2-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethyl]purine-2,6-dione.

Molecular Properties

• Compound Name: 3-methyl-7-[2-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethyl]purine-2,6-dione
• PubChem CID: 14748461
• Molecular Formula: C17H23N7O3
• Molecular Weight: 373.42 g/mol
• Exact Mass: 373.19
• IUPAC Name: 3-methyl-7-[2-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethyl]purine-2,6-dione
• SMILES: Cn1c(=O)[nH]c(=O)c2c1ncn2CCc1noc(CCN2CCCCC2)n1
• InChI: InChI=1S/C17H23N7O3/c1-22-15-14(16(25)20-17(22)26)24(11-18-15)10-5-12-19-13(27-21-12)6-9-23-7-3-2-4-8-23/h11H,2-10H2,1H3,(H,20,25,26)
• InChIKey: ULZPUYUELWKFRH-UHFFFAOYSA-N
• XLogP: 0.08
• TPSA: 114.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.42
LogP ≤ 5	0.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 3-methyl-7-[2-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethyl]purine-2,6-dione (CID 14748461) is 3-methyl-7-[2-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethyl]purine-2,6-dione.

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

The canonical SMILES for 3-methyl-7-[2-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethyl]purine-2,6-dione is Cn1c(=O)[nH]c(=O)c2c1ncn2CCc1noc(CCN2CCCCC2)n1.

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

The InChIKey is ULZPUYUELWKFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O3/c1-22-15-14(16(25)20-17(22)26)24(11-18-15)10-5-12-19-13(27-21-12)6-9-23-7-3-2-4-8-23/h11H,2-10H2,1H3,(H,20,25,26).

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

3-methyl-7-[2-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethyl]purine-2,6-dione has a molecular weight of 373.42 g/mol, XLogP of 0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-7-[2-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethyl]purine-2,6-dione is sourced from PubChem (CID 14748461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).