8-butyl-10,10-difluoro-2-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one

C20H29F2N3O — CID 131660787

About 8-butyl-10,10-difluoro-2-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one

8-butyl-10,10-difluoro-2-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one (PubChem CID 131660787) has the molecular formula C20H29F2N3O and a molecular weight of 365.47 g/mol. Its IUPAC name is 8-butyl-10,10-difluoro-2-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one.

Molecular Properties

• Compound Name: 8-butyl-10,10-difluoro-2-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one
• PubChem CID: 131660787
• Molecular Formula: C20H29F2N3O
• Molecular Weight: 365.47 g/mol
• Exact Mass: 365.23
• IUPAC Name: 8-butyl-10,10-difluoro-2-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one
• SMILES: CCCCN1CC(F)(F)CC2(CCCN(Cc3cccc(C)n3)C2=O)C1
• InChI: InChI=1S/C20H29F2N3O/c1-3-4-10-24-14-19(13-20(21,22)15-24)9-6-11-25(18(19)26)12-17-8-5-7-16(2)23-17/h5,7-8H,3-4,6,9-15H2,1-2H3
• InChIKey: WZBUVIPOGCZBOU-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 36.44 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.47
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 8-butyl-10,10-difluoro-2-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one?

The IUPAC name of 8-butyl-10,10-difluoro-2-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one (CID 131660787) is 8-butyl-10,10-difluoro-2-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one.

What is the SMILES notation for 8-butyl-10,10-difluoro-2-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one?

The canonical SMILES for 8-butyl-10,10-difluoro-2-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one is CCCCN1CC(F)(F)CC2(CCCN(Cc3cccc(C)n3)C2=O)C1.

What is the InChIKey of 8-butyl-10,10-difluoro-2-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one?

The InChIKey is WZBUVIPOGCZBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F2N3O/c1-3-4-10-24-14-19(13-20(21,22)15-24)9-6-11-25(18(19)26)12-17-8-5-7-16(2)23-17/h5,7-8H,3-4,6,9-15H2,1-2H3.

What are the key properties of 8-butyl-10,10-difluoro-2-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one?

8-butyl-10,10-difluoro-2-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one has a molecular weight of 365.47 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-butyl-10,10-difluoro-2-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 131660787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).