1-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

C14H17F3N2O3S — CID 656149

IUPAC1-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H17F3N2O3S/c1-23(21,22)19-7-5-10(6-8-19)13(20)18-12-4-2-3-11(9-12)14(15,16)17/h2-4,9-10H,5-8H2,1H3,(H,18,20)
InChIKeyIXXMGHIKDUHIMW-UHFFFAOYSA-N
MW350.36 g/mol
LogP2.32
Rot. Bonds3

About 1-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

1-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 656149) has the molecular formula C14H17F3N2O3S and a molecular weight of 350.36 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID656149
Molecular FormulaC14H17F3N2O3S
Molecular Weight350.36 g/mol
Exact Mass350.09
IUPAC Name1-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H17F3N2O3S/c1-23(21,22)19-7-5-10(6-8-19)13(20)18-12-4-2-3-11(9-12)14(15,16)17/h2-4,9-10H,5-8H2,1H3,(H,18,20)
InChIKeyIXXMGHIKDUHIMW-UHFFFAOYSA-N
XLogP2.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 656149) is 1-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)Nc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is IXXMGHIKDUHIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3S/c1-23(21,22)19-7-5-10(6-8-19)13(20)18-12-4-2-3-11(9-12)14(15,16)17/h2-4,9-10H,5-8H2,1H3,(H,18,20).
What are the key properties of 1-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
1-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 350.36 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 656149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).