4-(4-fluorophenyl)-9-(5-methylpyridine-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C21H22FN3O3 — CID 155999182

About 4-(4-fluorophenyl)-9-(5-methylpyridine-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-(4-fluorophenyl)-9-(5-methylpyridine-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 155999182) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-9-(5-methylpyridine-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 4-(4-fluorophenyl)-9-(5-methylpyridine-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
• PubChem CID: 155999182
• Molecular Formula: C21H22FN3O3
• Molecular Weight: 383.42 g/mol
• Exact Mass: 383.16
• IUPAC Name: 4-(4-fluorophenyl)-9-(5-methylpyridine-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
• SMILES: Cc1cncc(C(=O)N2CCC3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)c1
• InChI: InChI=1S/C21H22FN3O3/c1-15-10-16(12-23-11-15)20(27)24-8-6-21(7-9-24)14-25(19(26)13-28-21)18-4-2-17(22)3-5-18/h2-5,10-12H,6-9,13-14H2,1H3
• InChIKey: RMUBWVRQIKVJCI-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 62.74 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.42
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-9-(5-methylpyridine-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?

The IUPAC name of 4-(4-fluorophenyl)-9-(5-methylpyridine-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 155999182) is 4-(4-fluorophenyl)-9-(5-methylpyridine-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for 4-(4-fluorophenyl)-9-(5-methylpyridine-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for 4-(4-fluorophenyl)-9-(5-methylpyridine-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is Cc1cncc(C(=O)N2CCC3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)c1.

What is the InChIKey of 4-(4-fluorophenyl)-9-(5-methylpyridine-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?

The InChIKey is RMUBWVRQIKVJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3/c1-15-10-16(12-23-11-15)20(27)24-8-6-21(7-9-24)14-25(19(26)13-28-21)18-4-2-17(22)3-5-18/h2-5,10-12H,6-9,13-14H2,1H3.

What are the key properties of 4-(4-fluorophenyl)-9-(5-methylpyridine-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?

4-(4-fluorophenyl)-9-(5-methylpyridine-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 383.42 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-fluorophenyl)-9-(5-methylpyridine-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 155999182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).