N-[4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenyl]acetamide

C20H22F3N3O — CID 1067937

IUPACN-[4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C20H22F3N3O/c1-15(27)24-18-7-5-16(6-8-18)14-25-9-11-26(12-10-25)19-4-2-3-17(13-19)20(21,22)23/h2-8,13H,9-12,14H2,1H3,(H,24,27)
InChIKeyVNHQAFCYYOKMOS-UHFFFAOYSA-N
MW377.41 g/mol
LogP3.99
Rot. Bonds4

About N-[4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenyl]acetamide

N-[4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenyl]acetamide (PubChem CID 1067937) has the molecular formula C20H22F3N3O and a molecular weight of 377.41 g/mol. Its IUPAC name is N-[4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenyl]acetamide
PubChem CID1067937
Molecular FormulaC20H22F3N3O
Molecular Weight377.41 g/mol
Exact Mass377.17
IUPAC NameN-[4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C20H22F3N3O/c1-15(27)24-18-7-5-16(6-8-18)14-25-9-11-26(12-10-25)19-4-2-3-17(13-19)20(21,22)23/h2-8,13H,9-12,14H2,1H3,(H,24,27)
InChIKeyVNHQAFCYYOKMOS-UHFFFAOYSA-N
XLogP3.99
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]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 N-[4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenyl]acetamide (CID 1067937) is N-[4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1.
What is the InChIKey of N-[4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenyl]acetamide?
The InChIKey is VNHQAFCYYOKMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O/c1-15(27)24-18-7-5-16(6-8-18)14-25-9-11-26(12-10-25)19-4-2-3-17(13-19)20(21,22)23/h2-8,13H,9-12,14H2,1H3,(H,24,27).
What are the key properties of N-[4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenyl]acetamide?
N-[4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenyl]acetamide has a molecular weight of 377.41 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 1067937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).