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

C14H17FN2O2 — CID 83243144

IUPAC5-(4-fluorophenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCOCCN1C(=O)C2(CC2)NC1c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O2/c1-19-9-8-17-12(10-2-4-11(15)5-3-10)16-14(6-7-14)13(17)18/h2-5,12,16H,6-9H2,1H3
InChIKeyBVJKIBIDKKGHIR-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.44
Rot. Bonds4

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

5-(4-fluorophenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83243144) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83243144
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name5-(4-fluorophenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCOCCN1C(=O)C2(CC2)NC1c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O2/c1-19-9-8-17-12(10-2-4-11(15)5-3-10)16-14(6-7-14)13(17)18/h2-5,12,16H,6-9H2,1H3
InChIKeyBVJKIBIDKKGHIR-UHFFFAOYSA-N
XLogP1.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-(4-fluorophenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83243144) is 5-(4-fluorophenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-(4-fluorophenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-(4-fluorophenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one is COCCN1C(=O)C2(CC2)NC1c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is BVJKIBIDKKGHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-19-9-8-17-12(10-2-4-11(15)5-3-10)16-14(6-7-14)13(17)18/h2-5,12,16H,6-9H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one?
5-(4-fluorophenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 264.30 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83243144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).