7-(1-fluorocyclobutanecarbonyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one

C19H23FN2O2 — CID 131682245

IUPAC7-(1-fluorocyclobutanecarbonyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1ccc(N2CC3(CCN(C(=O)C4(F)CCC4)C3)CC2=O)cc1
InChIInChI=1S/C19H23FN2O2/c1-14-3-5-15(6-4-14)22-13-18(11-16(22)23)9-10-21(12-18)17(24)19(20)7-2-8-19/h3-6H,2,7-13H2,1H3
InChIKeyWBZBXJFIIGMXGI-UHFFFAOYSA-N
MW330.40 g/mol
LogP2.84
Rot. Bonds2

About 7-(1-fluorocyclobutanecarbonyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one

7-(1-fluorocyclobutanecarbonyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 131682245) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 7-(1-fluorocyclobutanecarbonyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name7-(1-fluorocyclobutanecarbonyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID131682245
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name7-(1-fluorocyclobutanecarbonyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1ccc(N2CC3(CCN(C(=O)C4(F)CCC4)C3)CC2=O)cc1
InChIInChI=1S/C19H23FN2O2/c1-14-3-5-15(6-4-14)22-13-18(11-16(22)23)9-10-21(12-18)17(24)19(20)7-2-8-19/h3-6H,2,7-13H2,1H3
InChIKeyWBZBXJFIIGMXGI-UHFFFAOYSA-N
XLogP2.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
(5S)-2-(4-methylphenyl)-7-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 97398955
2-(4-fluorophenyl)-7-[2-(1-hydroxycyclobutyl)acetyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 131691131
6-(4-methylphenyl)-6-azaspiro[2.5]octan-7-one
CID 144760105
7-(cyclopropanecarbonyl)-2-(4-methoxyphenyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131649039
2-(4-fluorophenyl)-7-(3-fluoropropanoyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131691070
3-oxo-2-phenyl-N-propan-2-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 118741086
2-(1-fluorocyclobutanecarbonyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131696189
2-(4-fluorophenyl)-3-oxo-N-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 134073071
2-(4-fluorophenyl)-7-[(4-methylphenyl)methylsulfonyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 131641174

Frequently Asked Questions

What is the IUPAC name of 7-(1-fluorocyclobutanecarbonyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 7-(1-fluorocyclobutanecarbonyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one (CID 131682245) is 7-(1-fluorocyclobutanecarbonyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for 7-(1-fluorocyclobutanecarbonyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 7-(1-fluorocyclobutanecarbonyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one is Cc1ccc(N2CC3(CCN(C(=O)C4(F)CCC4)C3)CC2=O)cc1.
What is the InChIKey of 7-(1-fluorocyclobutanecarbonyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is WBZBXJFIIGMXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-14-3-5-15(6-4-14)22-13-18(11-16(22)23)9-10-21(12-18)17(24)19(20)7-2-8-19/h3-6H,2,7-13H2,1H3.
What are the key properties of 7-(1-fluorocyclobutanecarbonyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one?
7-(1-fluorocyclobutanecarbonyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 330.40 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-fluorocyclobutanecarbonyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 131682245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).