4-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide

C14H17F3N2OS — CID 63121910

IUPAC4-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide
SMILESCC1(C(=O)Nc2ccccc2SC(F)(F)F)CCNCC1
InChIInChI=1S/C14H17F3N2OS/c1-13(6-8-18-9-7-13)12(20)19-10-4-2-3-5-11(10)21-14(15,16)17/h2-5,18H,6-9H2,1H3,(H,19,20)
InChIKeyQVPZNYZOEQMZHP-UHFFFAOYSA-N
MW318.36 g/mol
LogP3.63
Rot. Bonds3

About 4-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide

4-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide (PubChem CID 63121910) has the molecular formula C14H17F3N2OS and a molecular weight of 318.36 g/mol. Its IUPAC name is 4-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide
PubChem CID63121910
Molecular FormulaC14H17F3N2OS
Molecular Weight318.36 g/mol
Exact Mass318.10
IUPAC Name4-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide
SMILESCC1(C(=O)Nc2ccccc2SC(F)(F)F)CCNCC1
InChIInChI=1S/C14H17F3N2OS/c1-13(6-8-18-9-7-13)12(20)19-10-4-2-3-5-11(10)21-14(15,16)17/h2-5,18H,6-9H2,1H3,(H,19,20)
InChIKeyQVPZNYZOEQMZHP-UHFFFAOYSA-N
XLogP3.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 4-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide (CID 63121910) is 4-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide is CC1(C(=O)Nc2ccccc2SC(F)(F)F)CCNCC1.
What is the InChIKey of 4-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide?
The InChIKey is QVPZNYZOEQMZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2OS/c1-13(6-8-18-9-7-13)12(20)19-10-4-2-3-5-11(10)21-14(15,16)17/h2-5,18H,6-9H2,1H3,(H,19,20).
What are the key properties of 4-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide?
4-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide has a molecular weight of 318.36 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 63121910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).