5-(3-fluorophenyl)-6-(1-methoxypropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one

C15H19FN2O2 — CID 83239801

IUPAC5-(3-fluorophenyl)-6-(1-methoxypropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCOCC(C)N1C(=O)C2(CC2)NC1c1cccc(F)c1
InChIInChI=1S/C15H19FN2O2/c1-10(9-20-2)18-13(11-4-3-5-12(16)8-11)17-15(6-7-15)14(18)19/h3-5,8,10,13,17H,6-7,9H2,1-2H3
InChIKeyWSQRMXRUDZZBOE-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.82
Rot. Bonds4

About 5-(3-fluorophenyl)-6-(1-methoxypropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one

5-(3-fluorophenyl)-6-(1-methoxypropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83239801) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-6-(1-methoxypropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-(3-fluorophenyl)-6-(1-methoxypropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83239801
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name5-(3-fluorophenyl)-6-(1-methoxypropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCOCC(C)N1C(=O)C2(CC2)NC1c1cccc(F)c1
InChIInChI=1S/C15H19FN2O2/c1-10(9-20-2)18-13(11-4-3-5-12(16)8-11)17-15(6-7-15)14(18)19/h3-5,8,10,13,17H,6-7,9H2,1-2H3
InChIKeyWSQRMXRUDZZBOE-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-fluorophenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83250897
5-(4-fluorophenyl)-6-(4-methoxybutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83268053
5-(3-fluorophenyl)-6-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83242741
5-ethyl-2-(3-fluorophenyl)-3-(1-methoxypropan-2-yl)imidazolidin-4-one
CID 83240074
5-(3-chlorophenyl)-6-(1-ethoxypropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83245613
6-(2-ethoxyethyl)-5-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83237493
6-(2,2-dimethylcyclopropyl)-5-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83248620
6-(1-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83263864
5-(3-fluoro-4-methoxyphenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83247259
6-(1-ethoxypropan-2-yl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83248467
3-(1-cyclopropylethyl)-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
CID 83244740
2-(3-fluorophenyl)-3-(1-methoxypentan-2-yl)imidazolidin-4-one
CID 83262999

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-6-(1-methoxypropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-(3-fluorophenyl)-6-(1-methoxypropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83239801) is 5-(3-fluorophenyl)-6-(1-methoxypropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-(3-fluorophenyl)-6-(1-methoxypropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-(3-fluorophenyl)-6-(1-methoxypropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one is COCC(C)N1C(=O)C2(CC2)NC1c1cccc(F)c1.
What is the InChIKey of 5-(3-fluorophenyl)-6-(1-methoxypropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is WSQRMXRUDZZBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-10(9-20-2)18-13(11-4-3-5-12(16)8-11)17-15(6-7-15)14(18)19/h3-5,8,10,13,17H,6-7,9H2,1-2H3.
What are the key properties of 5-(3-fluorophenyl)-6-(1-methoxypropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
5-(3-fluorophenyl)-6-(1-methoxypropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 278.33 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-6-(1-methoxypropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83239801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).