N-[2-(dimethylamino)-2-phenylethyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

C23H28F3N3O3S — CID 4877700

IUPACN-[2-(dimethylamino)-2-phenylethyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCN(C)C(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3
InChIInChI=1S/C23H28F3N3O3S/c1-28(2)21(17-7-4-3-5-8-17)16-27-22(30)18-11-13-29(14-12-18)33(31,32)20-10-6-9-19(15-20)23(24,25)26/h3-10,15,18,21H,11-14,16H2,1-2H3,(H,27,30)
InChIKeyQZUFFUQFWSZXRU-UHFFFAOYSA-N
MW483.50 g/mol
LogP3.30
Rot. Bonds7

About N-[2-(dimethylamino)-2-phenylethyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

N-[2-(dimethylamino)-2-phenylethyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 4877700) has the molecular formula C23H28F3N3O3S and a molecular weight of 483.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID4877700
Molecular FormulaC23H28F3N3O3S
Molecular Weight483.50 g/mol
Exact Mass483.18
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCN(C)C(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3
InChIInChI=1S/C23H28F3N3O3S/c1-28(2)21(17-7-4-3-5-8-17)16-27-22(30)18-11-13-29(14-12-18)33(31,32)20-10-6-9-19(15-20)23(24,25)26/h3-10,15,18,21H,11-14,16H2,1-2H3,(H,27,30)
InChIKeyQZUFFUQFWSZXRU-UHFFFAOYSA-N
XLogP3.30
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity740

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.50
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-(dimethylamino)-2-phenylethyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-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-[2-(dimethylamino)-2-phenylethyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (CID 4877700) is N-[2-(dimethylamino)-2-phenylethyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is CN(C)C(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is QZUFFUQFWSZXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3O3S/c1-28(2)21(17-7-4-3-5-8-17)16-27-22(30)18-11-13-29(14-12-18)33(31,32)20-10-6-9-19(15-20)23(24,25)26/h3-10,15,18,21H,11-14,16H2,1-2H3,(H,27,30).
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
N-[2-(dimethylamino)-2-phenylethyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 483.50 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 4877700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).