5-(3-fluoro-4-methoxyphenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one

C15H19FN2O3 — CID 83247259

IUPAC5-(3-fluoro-4-methoxyphenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCOCCN1C(=O)C2(CC2)NC1c1ccc(OC)c(F)c1
InChIInChI=1S/C15H19FN2O3/c1-20-8-7-18-13(17-15(5-6-15)14(18)19)10-3-4-12(21-2)11(16)9-10/h3-4,9,13,17H,5-8H2,1-2H3
InChIKeyYKIWCDJRRQEDII-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.44
Rot. Bonds5

About 5-(3-fluoro-4-methoxyphenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one

5-(3-fluoro-4-methoxyphenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83247259) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 5-(3-fluoro-4-methoxyphenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-(3-fluoro-4-methoxyphenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83247259
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name5-(3-fluoro-4-methoxyphenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCOCCN1C(=O)C2(CC2)NC1c1ccc(OC)c(F)c1
InChIInChI=1S/C15H19FN2O3/c1-20-8-7-18-13(17-15(5-6-15)14(18)19)10-3-4-12(21-2)11(16)9-10/h3-4,9,13,17H,5-8H2,1-2H3
InChIKeyYKIWCDJRRQEDII-UHFFFAOYSA-N
XLogP1.44
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83247259) is 5-(3-fluoro-4-methoxyphenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-(3-fluoro-4-methoxyphenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-(3-fluoro-4-methoxyphenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one is COCCN1C(=O)C2(CC2)NC1c1ccc(OC)c(F)c1.
What is the InChIKey of 5-(3-fluoro-4-methoxyphenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is YKIWCDJRRQEDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-20-8-7-18-13(17-15(5-6-15)14(18)19)10-3-4-12(21-2)11(16)9-10/h3-4,9,13,17H,5-8H2,1-2H3.
What are the key properties of 5-(3-fluoro-4-methoxyphenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one?
5-(3-fluoro-4-methoxyphenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 294.33 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methoxyphenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83247259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).