1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-fluoro-3-pyridinyl)methanone

C13H15FN2O3 — CID 113340544

IUPAC1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-fluoro-3-pyridinyl)methanone
SMILESO=C(c1cncc(F)c1)N1CCCC2(C1)OCCO2
InChIInChI=1S/C13H15FN2O3/c14-11-6-10(7-15-8-11)12(17)16-3-1-2-13(9-16)18-4-5-19-13/h6-8H,1-5,9H2
InChIKeyWFBZVMJEFQVSAW-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.20
Rot. Bonds1

About 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-fluoro-3-pyridinyl)methanone

1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-fluoro-3-pyridinyl)methanone (PubChem CID 113340544) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-fluoro-3-pyridinyl)methanone.

Molecular Properties

Compound Name1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-fluoro-3-pyridinyl)methanone
PubChem CID113340544
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-fluoro-3-pyridinyl)methanone
SMILESO=C(c1cncc(F)c1)N1CCCC2(C1)OCCO2
InChIInChI=1S/C13H15FN2O3/c14-11-6-10(7-15-8-11)12(17)16-3-1-2-13(9-16)18-4-5-19-13/h6-8H,1-5,9H2
InChIKeyWFBZVMJEFQVSAW-UHFFFAOYSA-N
XLogP1.20
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 113452823
(3,5-dibromophenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 103909366
1,4-dioxa-9-azaspiro[4.5]decan-9-yl(1,3-thiazol-5-yl)methanone
CID 103860774
7-(5-fluoropyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 115694744
(5-fluoro-3-pyridinyl)-(1,2-oxazolidin-2-yl)methanone
CID 104786126
1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(1-methylpyrazol-3-yl)methanone
CID 103860781
9-(5-fluoropyridine-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 131658395
(2,6-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 103890671
[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 102978428
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(3-methylpiperidine-1-carbonyl)-3-pyridinyl]methanone
CID 109106627
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(5-fluoro-3-pyridinyl)methanone
CID 104786148
(5-fluoro-3-pyridinyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 113265528

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-fluoro-3-pyridinyl)methanone?
The IUPAC name of 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-fluoro-3-pyridinyl)methanone (CID 113340544) is 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-fluoro-3-pyridinyl)methanone.
What is the SMILES notation for 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-fluoro-3-pyridinyl)methanone?
The canonical SMILES for 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-fluoro-3-pyridinyl)methanone is O=C(c1cncc(F)c1)N1CCCC2(C1)OCCO2.
What is the InChIKey of 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-fluoro-3-pyridinyl)methanone?
The InChIKey is WFBZVMJEFQVSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c14-11-6-10(7-15-8-11)12(17)16-3-1-2-13(9-16)18-4-5-19-13/h6-8H,1-5,9H2.
What are the key properties of 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-fluoro-3-pyridinyl)methanone?
1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-fluoro-3-pyridinyl)methanone has a molecular weight of 266.27 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-fluoro-3-pyridinyl)methanone is sourced from PubChem (CID 113340544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).