N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-2-(trifluoromethyl)benzamide

C19H21F3N2OS — CID 71787090

IUPACN-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCCN1CCC(c2cccs2)CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H21F3N2OS/c20-19(21,22)16-5-2-1-4-15(16)18(25)23-9-12-24-10-7-14(8-11-24)17-6-3-13-26-17/h1-6,13-14H,7-12H2,(H,23,25)
InChIKeyOWWUWXRVMHXOLD-UHFFFAOYSA-N
MW382.45 g/mol
LogP4.38
Rot. Bonds5

About N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-2-(trifluoromethyl)benzamide

N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-2-(trifluoromethyl)benzamide (PubChem CID 71787090) has the molecular formula C19H21F3N2OS and a molecular weight of 382.45 g/mol. Its IUPAC name is N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-2-(trifluoromethyl)benzamide
PubChem CID71787090
Molecular FormulaC19H21F3N2OS
Molecular Weight382.45 g/mol
Exact Mass382.13
IUPAC NameN-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCCN1CCC(c2cccs2)CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H21F3N2OS/c20-19(21,22)16-5-2-1-4-15(16)18(25)23-9-12-24-10-7-14(8-11-24)17-6-3-13-26-17/h1-6,13-14H,7-12H2,(H,23,25)
InChIKeyOWWUWXRVMHXOLD-UHFFFAOYSA-N
XLogP4.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-2-(trifluoromethyl)benzamide 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-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-2-(trifluoromethyl)benzamide (CID 71787090) is N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-2-(trifluoromethyl)benzamide is O=C(NCCN1CCC(c2cccs2)CC1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is OWWUWXRVMHXOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2OS/c20-19(21,22)16-5-2-1-4-15(16)18(25)23-9-12-24-10-7-14(8-11-24)17-6-3-13-26-17/h1-6,13-14H,7-12H2,(H,23,25).
What are the key properties of N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-2-(trifluoromethyl)benzamide?
N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 382.45 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 71787090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).