6-oxo-N-(thiophen-2-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

C19H19F3N2O2S — CID 24793206

IUPAC6-oxo-N-(thiophen-2-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1cccs1)C1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H19F3N2O2S/c20-19(21,22)15-4-1-3-13(9-15)11-24-12-14(6-7-17(24)25)18(26)23-10-16-5-2-8-27-16/h1-5,8-9,14H,6-7,10-12H2,(H,23,26)
InChIKeyPSTFDQXPDJIKCX-UHFFFAOYSA-N
MW396.43 g/mol
LogP3.82
Rot. Bonds5

About 6-oxo-N-(thiophen-2-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

6-oxo-N-(thiophen-2-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 24793206) has the molecular formula C19H19F3N2O2S and a molecular weight of 396.43 g/mol. Its IUPAC name is 6-oxo-N-(thiophen-2-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(thiophen-2-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID24793206
Molecular FormulaC19H19F3N2O2S
Molecular Weight396.43 g/mol
Exact Mass396.11
IUPAC Name6-oxo-N-(thiophen-2-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1cccs1)C1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H19F3N2O2S/c20-19(21,22)15-4-1-3-13(9-15)11-24-12-14(6-7-17(24)25)18(26)23-10-16-5-2-8-27-16/h1-5,8-9,14H,6-7,10-12H2,(H,23,26)
InChIKeyPSTFDQXPDJIKCX-UHFFFAOYSA-N
XLogP3.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(thiophen-2-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 6-oxo-N-(thiophen-2-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (CID 24793206) is 6-oxo-N-(thiophen-2-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(thiophen-2-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(thiophen-2-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is O=C(NCc1cccs1)C1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 6-oxo-N-(thiophen-2-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is PSTFDQXPDJIKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2S/c20-19(21,22)15-4-1-3-13(9-15)11-24-12-14(6-7-17(24)25)18(26)23-10-16-5-2-8-27-16/h1-5,8-9,14H,6-7,10-12H2,(H,23,26).
What are the key properties of 6-oxo-N-(thiophen-2-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
6-oxo-N-(thiophen-2-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 396.43 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(thiophen-2-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 24793206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).