2-(4-acetylphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride

C17H23ClF3N3O2 — CID 120812420

IUPAC2-(4-acetylphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
SMILESCC(=O)c1ccc(CC(=O)NCC(N2CCNCC2)C(F)(F)F)cc1.Cl
InChIInChI=1S/C17H22F3N3O2.ClH/c1-12(24)14-4-2-13(3-5-14)10-16(25)22-11-15(17(18,19)20)23-8-6-21-7-9-23;/h2-5,15,21H,6-11H2,1H3,(H,22,25);1H
InChIKeyZNPLXEDIBCLPHK-UHFFFAOYSA-N
MW393.84 g/mol
LogP1.81
Rot. Bonds6

About 2-(4-acetylphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride

2-(4-acetylphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride (PubChem CID 120812420) has the molecular formula C17H23ClF3N3O2 and a molecular weight of 393.84 g/mol. Its IUPAC name is 2-(4-acetylphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-acetylphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
PubChem CID120812420
Molecular FormulaC17H23ClF3N3O2
Molecular Weight393.84 g/mol
Exact Mass393.14
IUPAC Name2-(4-acetylphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
SMILESCC(=O)c1ccc(CC(=O)NCC(N2CCNCC2)C(F)(F)F)cc1.Cl
InChIInChI=1S/C17H22F3N3O2.ClH/c1-12(24)14-4-2-13(3-5-14)10-16(25)22-11-15(17(18,19)20)23-8-6-21-7-9-23;/h2-5,15,21H,6-11H2,1H3,(H,22,25);1H
InChIKeyZNPLXEDIBCLPHK-UHFFFAOYSA-N
XLogP1.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.84
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120812517
2-(4-chlorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811781
4-tert-butyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811336
2-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120812609
2-(3-fluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120810976
4-propanoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120812332
2-(5-methylthiophen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120812458
4-oxo-4-(4-propylphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)butanamide
CID 120813439
4-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120810936
4-(propan-2-yloxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120810855
2-(3-propan-2-yloxyphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120812892
4-cyano-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120813148

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride?
The IUPAC name of 2-(4-acetylphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride (CID 120812420) is 2-(4-acetylphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-acetylphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-acetylphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride is CC(=O)c1ccc(CC(=O)NCC(N2CCNCC2)C(F)(F)F)cc1.Cl.
What is the InChIKey of 2-(4-acetylphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride?
The InChIKey is ZNPLXEDIBCLPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O2.ClH/c1-12(24)14-4-2-13(3-5-14)10-16(25)22-11-15(17(18,19)20)23-8-6-21-7-9-23;/h2-5,15,21H,6-11H2,1H3,(H,22,25);1H.
What are the key properties of 2-(4-acetylphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride?
2-(4-acetylphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride has a molecular weight of 393.84 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride is sourced from PubChem (CID 120812420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).