N-[4-[(S)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenyl]acetamide

C20H22F3N3O2 — CID 171291188

IUPACN-[4-[(S)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc([C@@H](c2ccc(OC(F)(F)F)cc2)N2CCNCC2)cc1
InChIInChI=1S/C20H22F3N3O2/c1-14(27)25-17-6-2-15(3-7-17)19(26-12-10-24-11-13-26)16-4-8-18(9-5-16)28-20(21,22)23/h2-9,19,24H,10-13H2,1H3,(H,25,27)/t19-/m0/s1
InChIKeyXABKDEYBIBDJCW-IBGZPJMESA-N
MW393.41 g/mol
LogP3.54
Rot. Bonds5

About N-[4-[(S)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenyl]acetamide

N-[4-[(S)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenyl]acetamide (PubChem CID 171291188) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is N-[4-[(S)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(S)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenyl]acetamide
PubChem CID171291188
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC NameN-[4-[(S)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc([C@@H](c2ccc(OC(F)(F)F)cc2)N2CCNCC2)cc1
InChIInChI=1S/C20H22F3N3O2/c1-14(27)25-17-6-2-15(3-7-17)19(26-12-10-24-11-13-26)16-4-8-18(9-5-16)28-20(21,22)23/h2-9,19,24H,10-13H2,1H3,(H,25,27)/t19-/m0/s1
InChIKeyXABKDEYBIBDJCW-IBGZPJMESA-N
XLogP3.54
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[(S)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]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

Related Compounds

N-[4-[(S)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenyl]acetamide;dihydrochloride
CID 171291189
1-[bis[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 18348182
4-[(R)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenol
CID 171272564
1-[(S)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171287926
1-[(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171285875
1-[(R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171275299
2,6-diiodo-4-[(R)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenol
CID 171296503
1-[(S)-(4-methylsulfanylphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171281961
1-[(R)-(4-propan-2-yloxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171280875
1-[(S)-[4-(trifluoromethoxy)phenyl]-[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171285826
1-[(R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171286779
2,6-ditert-butyl-4-[(S)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenol
CID 171272277

Frequently Asked Questions

What is the IUPAC name of N-[4-[(S)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(S)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenyl]acetamide (CID 171291188) is N-[4-[(S)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(S)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(S)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenyl]acetamide is CC(=O)Nc1ccc([C@@H](c2ccc(OC(F)(F)F)cc2)N2CCNCC2)cc1.
What is the InChIKey of N-[4-[(S)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenyl]acetamide?
The InChIKey is XABKDEYBIBDJCW-IBGZPJMESA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-14(27)25-17-6-2-15(3-7-17)19(26-12-10-24-11-13-26)16-4-8-18(9-5-16)28-20(21,22)23/h2-9,19,24H,10-13H2,1H3,(H,25,27)/t19-/m0/s1.
What are the key properties of N-[4-[(S)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenyl]acetamide?
N-[4-[(S)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenyl]acetamide has a molecular weight of 393.41 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(S)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenyl]acetamide is sourced from PubChem (CID 171291188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).