N-benzyl-N-ethyl-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidine-4-carboxamide

C21H24F3N3O3S — CID 71737616

IUPACN-benzyl-N-ethyl-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C21H24F3N3O3S/c1-2-26(15-16-6-4-3-5-7-16)20(28)17-10-12-27(13-11-17)31(29,30)18-8-9-19(25-14-18)21(22,23)24/h3-9,14,17H,2,10-13,15H2,1H3
InChIKeyWVTXPGDWUUFZFE-UHFFFAOYSA-N
MW455.50 g/mol
LogP3.55
Rot. Bonds6

About N-benzyl-N-ethyl-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidine-4-carboxamide

N-benzyl-N-ethyl-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidine-4-carboxamide (PubChem CID 71737616) has the molecular formula C21H24F3N3O3S and a molecular weight of 455.50 g/mol. Its IUPAC name is N-benzyl-N-ethyl-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidine-4-carboxamide
PubChem CID71737616
Molecular FormulaC21H24F3N3O3S
Molecular Weight455.50 g/mol
Exact Mass455.15
IUPAC NameN-benzyl-N-ethyl-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C21H24F3N3O3S/c1-2-26(15-16-6-4-3-5-7-16)20(28)17-10-12-27(13-11-17)31(29,30)18-8-9-19(25-14-18)21(22,23)24/h3-9,14,17H,2,10-13,15H2,1H3
InChIKeyWVTXPGDWUUFZFE-UHFFFAOYSA-N
XLogP3.55
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.50
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-N-ethyl-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidine-4-carboxamide (CID 71737616) is N-benzyl-N-ethyl-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidine-4-carboxamide is CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)CC1.
What is the InChIKey of N-benzyl-N-ethyl-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidine-4-carboxamide?
The InChIKey is WVTXPGDWUUFZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O3S/c1-2-26(15-16-6-4-3-5-7-16)20(28)17-10-12-27(13-11-17)31(29,30)18-8-9-19(25-14-18)21(22,23)24/h3-9,14,17H,2,10-13,15H2,1H3.
What are the key properties of N-benzyl-N-ethyl-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidine-4-carboxamide?
N-benzyl-N-ethyl-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidine-4-carboxamide has a molecular weight of 455.50 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 71737616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).