N-[2-(2-fluorophenyl)ethyl]-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide

C17H20F4N2O2S — CID 55779186

IUPACN-[2-(2-fluorophenyl)ethyl]-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1F)C1CCN(C(=O)CSC(F)(F)F)CC1
InChIInChI=1S/C17H20F4N2O2S/c18-14-4-2-1-3-12(14)5-8-22-16(25)13-6-9-23(10-7-13)15(24)11-26-17(19,20)21/h1-4,13H,5-11H2,(H,22,25)
InChIKeyRNMVGPMRBGFAEZ-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.98
Rot. Bonds6

About N-[2-(2-fluorophenyl)ethyl]-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide

N-[2-(2-fluorophenyl)ethyl]-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide (PubChem CID 55779186) has the molecular formula C17H20F4N2O2S and a molecular weight of 392.42 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide
PubChem CID55779186
Molecular FormulaC17H20F4N2O2S
Molecular Weight392.42 g/mol
Exact Mass392.12
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1F)C1CCN(C(=O)CSC(F)(F)F)CC1
InChIInChI=1S/C17H20F4N2O2S/c18-14-4-2-1-3-12(14)5-8-22-16(25)13-6-9-23(10-7-13)15(24)11-26-17(19,20)21/h1-4,13H,5-11H2,(H,22,25)
InChIKeyRNMVGPMRBGFAEZ-UHFFFAOYSA-N
XLogP2.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
N-[2-(2-fluorophenyl)ethyl]-1-(3-methylsulfanylpropanoyl)piperidine-4-carboxamide
CID 55778984
1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 39713860
1-(2,2-dimethylpropanoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 51181932
1-N-cyclopropyl-4-N-[2-(2-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide
CID 113004650
1-(2-cyclopent-2-en-1-ylacetyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55778987
1-[3-(4-ethylphenyl)propanoyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55778891
ethyl 4-[2-(2-fluorophenyl)ethylcarbamoyl]piperidine-1-carboxylate
CID 39709187
methyl 2-[3-[4-[2-(2-fluorophenyl)ethylcarbamoyl]piperidin-1-yl]-3-oxopropyl]sulfanylacetate
CID 56567715
N-[2-(2-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145613
1-[2-(2-fluorophenyl)acetyl]-N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 113004677
N-[2-(2-fluorophenyl)ethyl]-1-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide
CID 55738783

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide (CID 55779186) is N-[2-(2-fluorophenyl)ethyl]-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide is O=C(NCCc1ccccc1F)C1CCN(C(=O)CSC(F)(F)F)CC1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide?
The InChIKey is RNMVGPMRBGFAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F4N2O2S/c18-14-4-2-1-3-12(14)5-8-22-16(25)13-6-9-23(10-7-13)15(24)11-26-17(19,20)21/h1-4,13H,5-11H2,(H,22,25).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 55779186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).