3-[(5S)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethyl-1H-pyridin-2-one

C23H28FN3O2 — CID 26395243

About 3-[(5S)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethyl-1H-pyridin-2-one

3-[(5S)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 26395243) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is 3-[(5S)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 3-[(5S)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
• PubChem CID: 26395243
• Molecular Formula: C23H28FN3O2
• Molecular Weight: 397.49 g/mol
• Exact Mass: 397.22
• IUPAC Name: 3-[(5S)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
• SMILES: Cc1cc(C)c(C(=O)N2CC[C@]3(CCCN(Cc4ccccc4F)C3)C2)c(=O)[nH]1
• InChI: InChI=1S/C23H28FN3O2/c1-16-12-17(2)25-21(28)20(16)22(29)27-11-9-23(15-27)8-5-10-26(14-23)13-18-6-3-4-7-19(18)24/h3-4,6-7,12H,5,8-11,13-15H2,1-2H3,(H,25,28)/t23-/m0/s1
• InChIKey: BUQUHMKVNFMACB-QHCPKHFHSA-N
• XLogP: 3.26
• TPSA: 56.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.49
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[(5S)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?

The IUPAC name of 3-[(5S)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethyl-1H-pyridin-2-one (CID 26395243) is 3-[(5S)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethyl-1H-pyridin-2-one.

What is the SMILES notation for 3-[(5S)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?

The canonical SMILES for 3-[(5S)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethyl-1H-pyridin-2-one is Cc1cc(C)c(C(=O)N2CC[C@]3(CCCN(Cc4ccccc4F)C3)C2)c(=O)[nH]1.

What is the InChIKey of 3-[(5S)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?

The InChIKey is BUQUHMKVNFMACB-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-16-12-17(2)25-21(28)20(16)22(29)27-11-9-23(15-27)8-5-10-26(14-23)13-18-6-3-4-7-19(18)24/h3-4,6-7,12H,5,8-11,13-15H2,1-2H3,(H,25,28)/t23-/m0/s1.

What are the key properties of 3-[(5S)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?

3-[(5S)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 397.49 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(5S)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 26395243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).