1-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

C19H26F3N3O3S — CID 20911382

IUPAC1-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESCC1CCN(S(=O)(=O)N2CCCC(C(=O)Nc3cccc(C(F)(F)F)c3)C2)CC1
InChIInChI=1S/C19H26F3N3O3S/c1-14-7-10-24(11-8-14)29(27,28)25-9-3-4-15(13-25)18(26)23-17-6-2-5-16(12-17)19(20,21)22/h2,5-6,12,14-15H,3-4,7-11,13H2,1H3,(H,23,26)
InChIKeyWLJIRNOKKDWBSL-UHFFFAOYSA-N
MW433.50 g/mol
LogP3.33
Rot. Bonds4

About 1-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

1-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide (PubChem CID 20911382) has the molecular formula C19H26F3N3O3S and a molecular weight of 433.50 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
PubChem CID20911382
Molecular FormulaC19H26F3N3O3S
Molecular Weight433.50 g/mol
Exact Mass433.16
IUPAC Name1-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESCC1CCN(S(=O)(=O)N2CCCC(C(=O)Nc3cccc(C(F)(F)F)c3)C2)CC1
InChIInChI=1S/C19H26F3N3O3S/c1-14-7-10-24(11-8-14)29(27,28)25-9-3-4-15(13-25)18(26)23-17-6-2-5-16(12-17)19(20,21)22/h2,5-6,12,14-15H,3-4,7-11,13H2,1H3,(H,23,26)
InChIKeyWLJIRNOKKDWBSL-UHFFFAOYSA-N
XLogP3.33
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 110860841
4-(4-methylpiperidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 109146317
1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 42653693
1-(dimethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 19062300
(3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 95073269
(3S)-1-(1-propan-2-ylimidazol-4-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 95073445
(3S)-1-(2,2-dimethylpropanoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 94857474
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
(3R)-1-[3-(trifluoromethyl)benzoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 94082199
2-(4-methylpiperidin-1-yl)-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
CID 108501324
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 43872799

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide (CID 20911382) is 1-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide is CC1CCN(S(=O)(=O)N2CCCC(C(=O)Nc3cccc(C(F)(F)F)c3)C2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is WLJIRNOKKDWBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O3S/c1-14-7-10-24(11-8-14)29(27,28)25-9-3-4-15(13-25)18(26)23-17-6-2-5-16(12-17)19(20,21)22/h2,5-6,12,14-15H,3-4,7-11,13H2,1H3,(H,23,26).
What are the key properties of 1-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
1-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 433.50 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 20911382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).