4-(5-fluoro-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C13H16FN3O2 — CID 66783323

IUPAC4-(5-fluoro-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCNCC2)CN1c1ccc(F)cn1
InChIInChI=1S/C13H16FN3O2/c14-10-1-2-11(16-7-10)17-9-13(19-8-12(17)18)3-5-15-6-4-13/h1-2,7,15H,3-6,8-9H2
InChIKeyVNKFIQMXOGUGGA-UHFFFAOYSA-N
MW265.29 g/mol
LogP0.71
Rot. Bonds1

About 4-(5-fluoro-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-(5-fluoro-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 66783323) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 4-(5-fluoro-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-(5-fluoro-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID66783323
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name4-(5-fluoro-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCNCC2)CN1c1ccc(F)cn1
InChIInChI=1S/C13H16FN3O2/c14-10-1-2-11(16-7-10)17-9-13(19-8-12(17)18)3-5-15-6-4-13/h1-2,7,15H,3-6,8-9H2
InChIKeyVNKFIQMXOGUGGA-UHFFFAOYSA-N
XLogP0.71
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(5-fluoro-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-(5-fluoro-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 66783323) is 4-(5-fluoro-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-(5-fluoro-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-(5-fluoro-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C1COC2(CCNCC2)CN1c1ccc(F)cn1.
What is the InChIKey of 4-(5-fluoro-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is VNKFIQMXOGUGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c14-10-1-2-11(16-7-10)17-9-13(19-8-12(17)18)3-5-15-6-4-13/h1-2,7,15H,3-6,8-9H2.
What are the key properties of 4-(5-fluoro-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-(5-fluoro-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 265.29 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 66783323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).