N-(1-benzylpiperidin-3-yl)-4-(trifluoromethylsulfonyl)benzamide

C20H21F3N2O3S — CID 55653777

IUPACN-(1-benzylpiperidin-3-yl)-4-(trifluoromethylsulfonyl)benzamide
SMILESO=C(NC1CCCN(Cc2ccccc2)C1)c1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C20H21F3N2O3S/c21-20(22,23)29(27,28)18-10-8-16(9-11-18)19(26)24-17-7-4-12-25(14-17)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-14H2,(H,24,26)
InChIKeyXWURQMJCYBQCOZ-UHFFFAOYSA-N
MW426.46 g/mol
LogP3.37
Rot. Bonds5

About N-(1-benzylpiperidin-3-yl)-4-(trifluoromethylsulfonyl)benzamide

N-(1-benzylpiperidin-3-yl)-4-(trifluoromethylsulfonyl)benzamide (PubChem CID 55653777) has the molecular formula C20H21F3N2O3S and a molecular weight of 426.46 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-4-(trifluoromethylsulfonyl)benzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-4-(trifluoromethylsulfonyl)benzamide
PubChem CID55653777
Molecular FormulaC20H21F3N2O3S
Molecular Weight426.46 g/mol
Exact Mass426.12
IUPAC NameN-(1-benzylpiperidin-3-yl)-4-(trifluoromethylsulfonyl)benzamide
SMILESO=C(NC1CCCN(Cc2ccccc2)C1)c1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C20H21F3N2O3S/c21-20(22,23)29(27,28)18-10-8-16(9-11-18)19(26)24-17-7-4-12-25(14-17)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-14H2,(H,24,26)
InChIKeyXWURQMJCYBQCOZ-UHFFFAOYSA-N
XLogP3.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-benzylpiperidin-3-yl)-4-(trifluoromethylsulfonyl)benzamide 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

N-(1-benzylpyrrolidin-3-yl)-4-(difluoromethylsulfonyl)benzamide
CID 42907504
N-(1-benzylpiperidin-3-yl)-4-(cyclopropylcarbamoylamino)benzamide
CID 60508760
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
N-(1-benzylpiperidin-3-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 164881543
4-[4-[(1-benzylpiperidin-3-yl)carbamoyl]phenoxy]benzamide
CID 56545592
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
3-amino-N-(1-benzylpiperidin-3-yl)-5-fluoro-4-methylbenzamide
CID 113239291
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-[(R)-methylsulfinyl]benzamide
CID 94020513
N-(1-benzylpyrrolidin-3-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24633069
N-(1-benzylpyrrolidin-3-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17436953
N-(1-benzylpiperidin-3-yl)-2-methylbenzamide
CID 42958722

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-4-(trifluoromethylsulfonyl)benzamide?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-4-(trifluoromethylsulfonyl)benzamide (CID 55653777) is N-(1-benzylpiperidin-3-yl)-4-(trifluoromethylsulfonyl)benzamide.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-4-(trifluoromethylsulfonyl)benzamide?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-4-(trifluoromethylsulfonyl)benzamide is O=C(NC1CCCN(Cc2ccccc2)C1)c1ccc(S(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-4-(trifluoromethylsulfonyl)benzamide?
The InChIKey is XWURQMJCYBQCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3S/c21-20(22,23)29(27,28)18-10-8-16(9-11-18)19(26)24-17-7-4-12-25(14-17)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-14H2,(H,24,26).
What are the key properties of N-(1-benzylpiperidin-3-yl)-4-(trifluoromethylsulfonyl)benzamide?
N-(1-benzylpiperidin-3-yl)-4-(trifluoromethylsulfonyl)benzamide has a molecular weight of 426.46 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-4-(trifluoromethylsulfonyl)benzamide is sourced from PubChem (CID 55653777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).