1-(4-fluorobenzoyl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide

C24H23FN2O2S2 — CID 24514557

IUPAC1-(4-fluorobenzoyl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1SCc1ccsc1)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H23FN2O2S2/c25-20-7-5-19(6-8-20)24(29)27-12-9-18(10-13-27)23(28)26-21-3-1-2-4-22(21)31-16-17-11-14-30-15-17/h1-8,11,14-15,18H,9-10,12-13,16H2,(H,26,28)
InChIKeyYJGGRHURYHSPHL-UHFFFAOYSA-N
MW454.59 g/mol
LogP5.67
Rot. Bonds6

About 1-(4-fluorobenzoyl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide

1-(4-fluorobenzoyl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide (PubChem CID 24514557) has the molecular formula C24H23FN2O2S2 and a molecular weight of 454.59 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide
PubChem CID24514557
Molecular FormulaC24H23FN2O2S2
Molecular Weight454.59 g/mol
Exact Mass454.12
IUPAC Name1-(4-fluorobenzoyl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1SCc1ccsc1)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H23FN2O2S2/c25-20-7-5-19(6-8-20)24(29)27-12-9-18(10-13-27)23(28)26-21-3-1-2-4-22(21)31-16-17-11-14-30-15-17/h1-8,11,14-15,18H,9-10,12-13,16H2,(H,26,28)
InChIKeyYJGGRHURYHSPHL-UHFFFAOYSA-N
XLogP5.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.59
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)sulfonyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]piperidine-3-carboxamide
CID 24514591
N-(2-cyclopentylsulfanylphenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 32559066
1-(4-fluorobenzoyl)-N-[2-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 51218219
1-(4-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17223875
1-(4-fluorobenzoyl)-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 17224013
1-(4-fluorobenzoyl)-N-(2-prop-2-enylsulfanylphenyl)piperidine-3-carboxamide
CID 24535111
1-(4-fluorobenzoyl)-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 34757635
N-(2,3-dichlorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 1327552
1-(4-fluorobenzoyl)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 34650298
N-(2-benzoyl-4-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 17223887
1-(4-fluorobenzoyl)-N-(4-methyl-2-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 55890602
N-phenyl-1-[2-(thiophen-3-ylmethylsulfanyl)benzoyl]piperidine-3-carboxamide
CID 43035254

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide (CID 24514557) is 1-(4-fluorobenzoyl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide is O=C(Nc1ccccc1SCc1ccsc1)C1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide?
The InChIKey is YJGGRHURYHSPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O2S2/c25-20-7-5-19(6-8-20)24(29)27-12-9-18(10-13-27)23(28)26-21-3-1-2-4-22(21)31-16-17-11-14-30-15-17/h1-8,11,14-15,18H,9-10,12-13,16H2,(H,26,28).
What are the key properties of 1-(4-fluorobenzoyl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide?
1-(4-fluorobenzoyl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide has a molecular weight of 454.59 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 24514557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).