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

C15H19FN2O2 — CID 83243214

IUPAC5-(3-fluoro-4-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCN1C(=O)C2(CC2)NC1c1ccc(OC)c(F)c1
InChIInChI=1S/C15H19FN2O2/c1-3-8-18-13(17-15(6-7-15)14(18)19)10-4-5-12(20-2)11(16)9-10/h4-5,9,13,17H,3,6-8H2,1-2H3
InChIKeyRLFQKWKLZIEDPJ-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.21
Rot. Bonds4

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

5-(3-fluoro-4-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83243214) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 5-(3-fluoro-4-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-(3-fluoro-4-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83243214
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name5-(3-fluoro-4-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCN1C(=O)C2(CC2)NC1c1ccc(OC)c(F)c1
InChIInChI=1S/C15H19FN2O2/c1-3-8-18-13(17-15(6-7-15)14(18)19)10-4-5-12(20-2)11(16)9-10/h4-5,9,13,17H,3,6-8H2,1-2H3
InChIKeyRLFQKWKLZIEDPJ-UHFFFAOYSA-N
XLogP2.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one (CID 83243214) is 5-(3-fluoro-4-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-(3-fluoro-4-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-(3-fluoro-4-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one is CCCN1C(=O)C2(CC2)NC1c1ccc(OC)c(F)c1.
What is the InChIKey of 5-(3-fluoro-4-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is RLFQKWKLZIEDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-3-8-18-13(17-15(6-7-15)14(18)19)10-4-5-12(20-2)11(16)9-10/h4-5,9,13,17H,3,6-8H2,1-2H3.
What are the key properties of 5-(3-fluoro-4-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one?
5-(3-fluoro-4-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 278.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83243214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).