2-(4-fluorophenyl)-7-(3-fluoropropanoyl)-2,7-diazaspiro[4.4]nonan-3-one

C16H18F2N2O2 — CID 131691070

IUPAC2-(4-fluorophenyl)-7-(3-fluoropropanoyl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C(CCF)N1CCC2(CC(=O)N(c3ccc(F)cc3)C2)C1
InChIInChI=1S/C16H18F2N2O2/c17-7-5-14(21)19-8-6-16(10-19)9-15(22)20(11-16)13-3-1-12(18)2-4-13/h1-4H,5-11H2
InChIKeyJIPOTQMWMHYLPT-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.14
Rot. Bonds3

About 2-(4-fluorophenyl)-7-(3-fluoropropanoyl)-2,7-diazaspiro[4.4]nonan-3-one

2-(4-fluorophenyl)-7-(3-fluoropropanoyl)-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 131691070) has the molecular formula C16H18F2N2O2 and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-7-(3-fluoropropanoyl)-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-7-(3-fluoropropanoyl)-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID131691070
Molecular FormulaC16H18F2N2O2
Molecular Weight308.33 g/mol
Exact Mass308.13
IUPAC Name2-(4-fluorophenyl)-7-(3-fluoropropanoyl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C(CCF)N1CCC2(CC(=O)N(c3ccc(F)cc3)C2)C1
InChIInChI=1S/C16H18F2N2O2/c17-7-5-14(21)19-8-6-16(10-19)9-15(22)20(11-16)13-3-1-12(18)2-4-13/h1-4H,5-11H2
InChIKeyJIPOTQMWMHYLPT-UHFFFAOYSA-N
XLogP2.14
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-7-[2-(1-hydroxycyclobutyl)acetyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 131691131
2-(4-fluorophenyl)-3-oxo-N-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 134073071
7-(2-cyclopropylacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131652638
7-(2-methoxyacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 134073060
2-(4-methylphenyl)-7-(2-phenylacetyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 134070621
4-[7-[2-(dimethylamino)acetyl]-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile
CID 134073075
7-(1-fluorocyclobutanecarbonyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131682245
2-(4-fluorophenyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 121229716
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[2-(dimethylamino)acetyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 131661647
2-(4-fluorophenyl)-7-[(4-methylphenyl)methylsulfonyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 131641174
7-(cyclopropanecarbonyl)-2-(4-methoxyphenyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131649039
(5S)-2-(4-methylphenyl)-7-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 97398955

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-7-(3-fluoropropanoyl)-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 2-(4-fluorophenyl)-7-(3-fluoropropanoyl)-2,7-diazaspiro[4.4]nonan-3-one (CID 131691070) is 2-(4-fluorophenyl)-7-(3-fluoropropanoyl)-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)-7-(3-fluoropropanoyl)-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 2-(4-fluorophenyl)-7-(3-fluoropropanoyl)-2,7-diazaspiro[4.4]nonan-3-one is O=C(CCF)N1CCC2(CC(=O)N(c3ccc(F)cc3)C2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-7-(3-fluoropropanoyl)-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is JIPOTQMWMHYLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O2/c17-7-5-14(21)19-8-6-16(10-19)9-15(22)20(11-16)13-3-1-12(18)2-4-13/h1-4H,5-11H2.
What are the key properties of 2-(4-fluorophenyl)-7-(3-fluoropropanoyl)-2,7-diazaspiro[4.4]nonan-3-one?
2-(4-fluorophenyl)-7-(3-fluoropropanoyl)-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 308.33 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-7-(3-fluoropropanoyl)-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 131691070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).