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

C16H19F3N2O3S — CID 38644491

IUPACN-(2-methoxyphenyl)-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(C(=O)CSC(F)(F)F)CC1
InChIInChI=1S/C16H19F3N2O3S/c1-24-13-5-3-2-4-12(13)20-15(23)11-6-8-21(9-7-11)14(22)10-25-16(17,18)19/h2-5,11H,6-10H2,1H3,(H,20,23)
InChIKeyOTJOHROBYXGRKU-UHFFFAOYSA-N
MW376.40 g/mol
LogP3.13
Rot. Bonds5

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

N-(2-methoxyphenyl)-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide (PubChem CID 38644491) has the molecular formula C16H19F3N2O3S and a molecular weight of 376.40 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide
PubChem CID38644491
Molecular FormulaC16H19F3N2O3S
Molecular Weight376.40 g/mol
Exact Mass376.11
IUPAC NameN-(2-methoxyphenyl)-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(C(=O)CSC(F)(F)F)CC1
InChIInChI=1S/C16H19F3N2O3S/c1-24-13-5-3-2-4-12(13)20-15(23)11-6-8-21(9-7-11)14(22)10-25-16(17,18)19/h2-5,11H,6-10H2,1H3,(H,20,23)
InChIKeyOTJOHROBYXGRKU-UHFFFAOYSA-N
XLogP3.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17224335
1-(3,3-diphenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 38646196
N-(2-methoxyphenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 38645839
N-(2-methoxyphenyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide
CID 33344202
N-(2-methoxyphenyl)-1-octanoylpiperidine-4-carboxamide
CID 55653511
1-N,1-N-diethyl-4-N-(2-methoxyphenyl)piperidine-1,4-dicarboxamide
CID 56922674
N-(2-methoxyphenyl)-1-[2-[(2-methylbenzoyl)amino]acetyl]piperidine-4-carboxamide
CID 55653463
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119732606
N-(2-methoxyphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 37179444
1-[2-(4-acetyl-2-methoxyphenoxy)acetyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 33335967
1-(2-amino-2-phenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 120589254

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide (CID 38644491) is N-(2-methoxyphenyl)-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide is COc1ccccc1NC(=O)C1CCN(C(=O)CSC(F)(F)F)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide?
The InChIKey is OTJOHROBYXGRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O3S/c1-24-13-5-3-2-4-12(13)20-15(23)11-6-8-21(9-7-11)14(22)10-25-16(17,18)19/h2-5,11H,6-10H2,1H3,(H,20,23).
What are the key properties of N-(2-methoxyphenyl)-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide?
N-(2-methoxyphenyl)-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide has a molecular weight of 376.40 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 38644491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).