4-(4-fluorophenyl)-8-(3-phenylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one

C22H23FN2O2S — CID 46112861

IUPAC4-(4-fluorophenyl)-8-(3-phenylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESO=C(CCc1ccccc1)N1CCC2(CC1)SCC(=O)N2c1ccc(F)cc1
InChIInChI=1S/C22H23FN2O2S/c23-18-7-9-19(10-8-18)25-21(27)16-28-22(25)12-14-24(15-13-22)20(26)11-6-17-4-2-1-3-5-17/h1-5,7-10H,6,11-16H2
InChIKeyCIHKCZOUBXIWSF-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.86
Rot. Bonds4

About 4-(4-fluorophenyl)-8-(3-phenylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one

4-(4-fluorophenyl)-8-(3-phenylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 46112861) has the molecular formula C22H23FN2O2S and a molecular weight of 398.50 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-8-(3-phenylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-8-(3-phenylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID46112861
Molecular FormulaC22H23FN2O2S
Molecular Weight398.50 g/mol
Exact Mass398.15
IUPAC Name4-(4-fluorophenyl)-8-(3-phenylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESO=C(CCc1ccccc1)N1CCC2(CC1)SCC(=O)N2c1ccc(F)cc1
InChIInChI=1S/C22H23FN2O2S/c23-18-7-9-19(10-8-18)25-21(27)16-28-22(25)12-14-24(15-13-22)20(26)11-6-17-4-2-1-3-5-17/h1-5,7-10H,6,11-16H2
InChIKeyCIHKCZOUBXIWSF-UHFFFAOYSA-N
XLogP3.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenyl)-8-[2-(4-fluorophenyl)acetyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46112886
4-[(4-fluorophenyl)methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxylic acid
CID 22240726
8-benzoyl-4-phenyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 42880770
1-[4-(dimethylamino)-4-(4-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 166689549
4-(4-methylphenyl)-8-nonanoyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46113005
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110364923
4-(4-methoxyphenyl)-8-octanoyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46112894
4-(4-chlorophenyl)-8-(3,3-dimethylbutanoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46112815
1-[3-(4-fluorophenyl)propanoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123576
N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-fluorophenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 46113095
4-(3-methoxyphenyl)-8-pentanoyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 42882861
4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N'-(3-phenylpropanoyl)butanehydrazide
CID 3622193

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-8-(3-phenylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 4-(4-fluorophenyl)-8-(3-phenylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one (CID 46112861) is 4-(4-fluorophenyl)-8-(3-phenylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-(4-fluorophenyl)-8-(3-phenylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 4-(4-fluorophenyl)-8-(3-phenylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one is O=C(CCc1ccccc1)N1CCC2(CC1)SCC(=O)N2c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-8-(3-phenylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is CIHKCZOUBXIWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2S/c23-18-7-9-19(10-8-18)25-21(27)16-28-22(25)12-14-24(15-13-22)20(26)11-6-17-4-2-1-3-5-17/h1-5,7-10H,6,11-16H2.
What are the key properties of 4-(4-fluorophenyl)-8-(3-phenylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
4-(4-fluorophenyl)-8-(3-phenylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 398.50 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-8-(3-phenylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 46112861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).