5-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one

C21H23F2N3O2 — CID 45224663

About 5-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one

5-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one (PubChem CID 45224663) has the molecular formula C21H23F2N3O2 and a molecular weight of 387.43 g/mol. Its IUPAC name is 5-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 5-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one
• PubChem CID: 45224663
• Molecular Formula: C21H23F2N3O2
• Molecular Weight: 387.43 g/mol
• Exact Mass: 387.18
• IUPAC Name: 5-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one
• SMILES: O=C(c1ccc(=O)[nH]c1)N1CCC2(CCCN(Cc3ccc(F)c(F)c3)C2)C1
• InChI: InChI=1S/C21H23F2N3O2/c22-17-4-2-15(10-18(17)23)12-25-8-1-6-21(13-25)7-9-26(14-21)20(28)16-3-5-19(27)24-11-16/h2-5,10-11H,1,6-9,12-14H2,(H,24,27)
• InChIKey: SHMDELXUSIQYQJ-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 56.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.43
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one?

The IUPAC name of 5-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one (CID 45224663) is 5-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one.

What is the SMILES notation for 5-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one?

The canonical SMILES for 5-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one is O=C(c1ccc(=O)[nH]c1)N1CCC2(CCCN(Cc3ccc(F)c(F)c3)C2)C1.

What is the InChIKey of 5-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one?

The InChIKey is SHMDELXUSIQYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O2/c22-17-4-2-15(10-18(17)23)12-25-8-1-6-21(13-25)7-9-26(14-21)20(28)16-3-5-19(27)24-11-16/h2-5,10-11H,1,6-9,12-14H2,(H,24,27).

What are the key properties of 5-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one?

5-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one has a molecular weight of 387.43 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 45224663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).