[4-(5-piperidin-1-ylsulfonylfuran-2-carbonyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

C22H24F3N3O5S — CID 55634061

IUPAC[4-(5-piperidin-1-ylsulfonylfuran-2-carbonyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCCCC2)o1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C22H24F3N3O5S/c23-22(24,25)17-7-3-2-6-16(17)20(29)26-12-14-27(15-13-26)21(30)18-8-9-19(33-18)34(31,32)28-10-4-1-5-11-28/h2-3,6-9H,1,4-5,10-15H2
InChIKeyLUNFQIWADCVMQW-UHFFFAOYSA-N
MW499.51 g/mol
LogP3.07
Rot. Bonds4

About [4-(5-piperidin-1-ylsulfonylfuran-2-carbonyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

[4-(5-piperidin-1-ylsulfonylfuran-2-carbonyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 55634061) has the molecular formula C22H24F3N3O5S and a molecular weight of 499.51 g/mol. Its IUPAC name is [4-(5-piperidin-1-ylsulfonylfuran-2-carbonyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(5-piperidin-1-ylsulfonylfuran-2-carbonyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
PubChem CID55634061
Molecular FormulaC22H24F3N3O5S
Molecular Weight499.51 g/mol
Exact Mass499.14
IUPAC Name[4-(5-piperidin-1-ylsulfonylfuran-2-carbonyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCCCC2)o1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C22H24F3N3O5S/c23-22(24,25)17-7-3-2-6-16(17)20(29)26-12-14-27(15-13-26)21(30)18-8-9-19(33-18)34(31,32)28-10-4-1-5-11-28/h2-3,6-9H,1,4-5,10-15H2
InChIKeyLUNFQIWADCVMQW-UHFFFAOYSA-N
XLogP3.07
TPSA91.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.51
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(5-piperidin-1-ylsulfonylfuran-2-carbonyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone with MolForge

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Related Compounds

(4-Benzenesulfonyl-piperazin-1-yl)-furan-2-yl-methanone
CID 719657
[4-(4-Fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
CID 2238809
[2-[4-(Furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2355620
1-[(4-Butylphenyl)sulfonyl]-4-(2-furoyl)piperazine
CID 3554017
2-Furanyl-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]methanone
CID 3846584
3,5-Dimethyl-1-{[3-methyl-2-(piperidin-1-ylcarbonyl)-1-benzofuran-5-yl]sulfonyl}piperidine
CID 3241456
1-[(3,4-Dimethylphenyl)sulfonyl]-4-(2-furoyl)piperazine
CID 712595
[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
CID 712596
Furan-2-yl-[4-(1-phenylmethanesulfonyl-piperidine-4-carbonyl)-piperazin-1-yl]-methanone
CID 645420
1-Benzenesulfonyl-piperidine-4-carboxylic acid furan-2-ylmethyl-phenethyl-amide
CID 654430
4-tert-butyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 984193
1-(2-Furoyl)-4-{[3-(trifluoromethyl)phenyl]sulfonyl}piperazine
CID 1281355

Frequently Asked Questions

What is the IUPAC name of [4-(5-piperidin-1-ylsulfonylfuran-2-carbonyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(5-piperidin-1-ylsulfonylfuran-2-carbonyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 55634061) is [4-(5-piperidin-1-ylsulfonylfuran-2-carbonyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(5-piperidin-1-ylsulfonylfuran-2-carbonyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(5-piperidin-1-ylsulfonylfuran-2-carbonyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(S(=O)(=O)N2CCCCC2)o1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of [4-(5-piperidin-1-ylsulfonylfuran-2-carbonyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is LUNFQIWADCVMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O5S/c23-22(24,25)17-7-3-2-6-16(17)20(29)26-12-14-27(15-13-26)21(30)18-8-9-19(33-18)34(31,32)28-10-4-1-5-11-28/h2-3,6-9H,1,4-5,10-15H2.
What are the key properties of [4-(5-piperidin-1-ylsulfonylfuran-2-carbonyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
[4-(5-piperidin-1-ylsulfonylfuran-2-carbonyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 499.51 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-piperidin-1-ylsulfonylfuran-2-carbonyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 55634061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).