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

C23H28F3N3O2 — CID 3229501

IUPACN-(4-butoxyphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
SMILESCCCCOc1ccc(NC(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C23H28F3N3O2/c1-2-3-15-31-21-9-7-19(8-10-21)27-22(30)17-28-11-13-29(14-12-28)20-6-4-5-18(16-20)23(24,25)26/h4-10,16H,2-3,11-15,17H2,1H3,(H,27,30)
InChIKeyXHSRLEQLLBFVII-UHFFFAOYSA-N
MW435.49 g/mol
LogP4.64
Rot. Bonds8

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

N-(4-butoxyphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide (PubChem CID 3229501) has the molecular formula C23H28F3N3O2 and a molecular weight of 435.49 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
PubChem CID3229501
Molecular FormulaC23H28F3N3O2
Molecular Weight435.49 g/mol
Exact Mass435.21
IUPAC NameN-(4-butoxyphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
SMILESCCCCOc1ccc(NC(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C23H28F3N3O2/c1-2-3-15-31-21-9-7-19(8-10-21)27-22(30)17-28-11-13-29(14-12-28)20-6-4-5-18(16-20)23(24,25)26/h4-10,16H,2-3,11-15,17H2,1H3,(H,27,30)
InChIKeyXHSRLEQLLBFVII-UHFFFAOYSA-N
XLogP4.64
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199175
N-(4-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;hydrochloride
CID 171700191
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2698408
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 50875724
N-[4-[2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]phenyl]acetamide
CID 18559038
N-(4-butoxyphenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]acetamide
CID 3229495
N-(2,1,3-benzothiadiazol-5-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 17148965
N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]pentanamide
CID 2956194
2-(4-phenylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1051921
N-(tert-butylcarbamoyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 2088202
N-[2-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199190
N-(2-fluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 6466887

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-butoxyphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide (CID 3229501) is N-(4-butoxyphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-butoxyphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-butoxyphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide is CCCCOc1ccc(NC(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1.
What is the InChIKey of N-(4-butoxyphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The InChIKey is XHSRLEQLLBFVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3O2/c1-2-3-15-31-21-9-7-19(8-10-21)27-22(30)17-28-11-13-29(14-12-28)20-6-4-5-18(16-20)23(24,25)26/h4-10,16H,2-3,11-15,17H2,1H3,(H,27,30).
What are the key properties of N-(4-butoxyphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
N-(4-butoxyphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide has a molecular weight of 435.49 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 3229501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).