N-(2-ethylsulfanylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide

C21H25FN2OS — CID 46776821

IUPACN-(2-ethylsulfanylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCCSc1ccccc1NC(=O)C1CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C21H25FN2OS/c1-2-26-20-8-4-3-7-19(20)23-21(25)17-6-5-13-24(15-17)14-16-9-11-18(22)12-10-16/h3-4,7-12,17H,2,5-6,13-15H2,1H3,(H,23,25)
InChIKeyYWHAKFKWUBZTFR-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.79
Rot. Bonds6

About N-(2-ethylsulfanylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide

N-(2-ethylsulfanylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 46776821) has the molecular formula C21H25FN2OS and a molecular weight of 372.51 g/mol. Its IUPAC name is N-(2-ethylsulfanylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
PubChem CID46776821
Molecular FormulaC21H25FN2OS
Molecular Weight372.51 g/mol
Exact Mass372.17
IUPAC NameN-(2-ethylsulfanylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCCSc1ccccc1NC(=O)C1CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C21H25FN2OS/c1-2-26-20-8-4-3-7-19(20)23-21(25)17-6-5-13-24(15-17)14-16-9-11-18(22)12-10-16/h3-4,7-12,17H,2,5-6,13-15H2,1H3,(H,23,25)
InChIKeyYWHAKFKWUBZTFR-UHFFFAOYSA-N
XLogP4.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide
CID 43924979
(3R)-1-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 93490919
1-(2-amino-2-oxoethyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide
CID 131888945
(3R)-N-(2-ethylsulfanylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 100669876
N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43921645
1-[(4-fluorophenyl)methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43925204
(3S)-1-[(4-fluorophenyl)methyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]piperidine-3-carboxamide
CID 93491924
(3R)-N-[2-(tert-butylcarbamoyl)phenyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 38100852
N-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43921368
(3S)-N-benzhydryl-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 38102948
N-(2,4-difluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43923132
N-(5-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43921606

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-ethylsulfanylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide (CID 46776821) is N-(2-ethylsulfanylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-ethylsulfanylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-ethylsulfanylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide is CCSc1ccccc1NC(=O)C1CCCN(Cc2ccc(F)cc2)C1.
What is the InChIKey of N-(2-ethylsulfanylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is YWHAKFKWUBZTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2OS/c1-2-26-20-8-4-3-7-19(20)23-21(25)17-6-5-13-24(15-17)14-16-9-11-18(22)12-10-16/h3-4,7-12,17H,2,5-6,13-15H2,1H3,(H,23,25).
What are the key properties of N-(2-ethylsulfanylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
N-(2-ethylsulfanylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 46776821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).