2-(4-benzylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

C20H22F3N3O — CID 2697446

IUPAC2-(4-benzylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H22F3N3O/c21-20(22,23)17-7-4-8-18(13-17)24-19(27)15-26-11-9-25(10-12-26)14-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2,(H,24,27)
InChIKeyZDZPZVNIHCDTRX-UHFFFAOYSA-N
MW377.41 g/mol
LogP3.46
Rot. Bonds5

About 2-(4-benzylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(4-benzylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 2697446) has the molecular formula C20H22F3N3O and a molecular weight of 377.41 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID2697446
Molecular FormulaC20H22F3N3O
Molecular Weight377.41 g/mol
Exact Mass377.17
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H22F3N3O/c21-20(22,23)17-7-4-8-18(13-17)24-19(27)15-26-11-9-25(10-12-26)14-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2,(H,24,27)
InChIKeyZDZPZVNIHCDTRX-UHFFFAOYSA-N
XLogP3.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-benzylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide 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 2-(4-benzylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 2697446) is 2-(4-benzylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CN1CCN(Cc2ccccc2)CC1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ZDZPZVNIHCDTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O/c21-20(22,23)17-7-4-8-18(13-17)24-19(27)15-26-11-9-25(10-12-26)14-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2,(H,24,27).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(4-benzylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 377.41 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2697446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).