6-[3-(2-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

C26H27FN4O3 — CID 45212602

About 6-[3-(2-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

6-[3-(2-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 45212602) has the molecular formula C26H27FN4O3 and a molecular weight of 462.53 g/mol. Its IUPAC name is 6-[3-(2-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

• Compound Name: 6-[3-(2-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
• PubChem CID: 45212602
• Molecular Formula: C26H27FN4O3
• Molecular Weight: 462.53 g/mol
• Exact Mass: 462.21
• IUPAC Name: 6-[3-(2-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
• SMILES: Cc1nonc1CN(C)C(=O)C1CC12CCN(C(=O)c1cccc(-c3ccccc3F)c1)CC2
• InChI: InChI=1S/C26H27FN4O3/c1-17-23(29-34-28-17)16-30(2)25(33)21-15-26(21)10-12-31(13-11-26)24(32)19-7-5-6-18(14-19)20-8-3-4-9-22(20)27/h3-9,14,21H,10-13,15-16H2,1-2H3
• InChIKey: VZGDIEHKPMWRAD-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 79.54 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.53
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?

The IUPAC name of 6-[3-(2-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 45212602) is 6-[3-(2-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.

What is the SMILES notation for 6-[3-(2-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?

The canonical SMILES for 6-[3-(2-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is Cc1nonc1CN(C)C(=O)C1CC12CCN(C(=O)c1cccc(-c3ccccc3F)c1)CC2.

What is the InChIKey of 6-[3-(2-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?

The InChIKey is VZGDIEHKPMWRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O3/c1-17-23(29-34-28-17)16-30(2)25(33)21-15-26(21)10-12-31(13-11-26)24(32)19-7-5-6-18(14-19)20-8-3-4-9-22(20)27/h3-9,14,21H,10-13,15-16H2,1-2H3.

What are the key properties of 6-[3-(2-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?

6-[3-(2-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 462.53 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-(2-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 45212602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).