2-(5-methylthiophen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride

C14H21ClF3N3OS — CID 120812458

IUPAC2-(5-methylthiophen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
SMILESCc1ccc(CC(=O)NCC(N2CCNCC2)C(F)(F)F)s1.Cl
InChIInChI=1S/C14H20F3N3OS.ClH/c1-10-2-3-11(22-10)8-13(21)19-9-12(14(15,16)17)20-6-4-18-5-7-20;/h2-3,12,18H,4-9H2,1H3,(H,19,21);1H
InChIKeyYNKIPYGIYWPWIQ-UHFFFAOYSA-N
MW371.86 g/mol
LogP1.97
Rot. Bonds5

About 2-(5-methylthiophen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride

2-(5-methylthiophen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride (PubChem CID 120812458) has the molecular formula C14H21ClF3N3OS and a molecular weight of 371.86 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
PubChem CID120812458
Molecular FormulaC14H21ClF3N3OS
Molecular Weight371.86 g/mol
Exact Mass371.10
IUPAC Name2-(5-methylthiophen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
SMILESCc1ccc(CC(=O)NCC(N2CCNCC2)C(F)(F)F)s1.Cl
InChIInChI=1S/C14H20F3N3OS.ClH/c1-10-2-3-11(22-10)8-13(21)19-9-12(14(15,16)17)20-6-4-18-5-7-20;/h2-3,12,18H,4-9H2,1H3,(H,19,21);1H
InChIKeyYNKIPYGIYWPWIQ-UHFFFAOYSA-N
XLogP1.97
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.86
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetylphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120812420
2-(4-chlorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811781
3-(2-methylphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 120813332
2-(3-fluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120810976
4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)butanamide
CID 120811269
2-(1,5-dimethylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 155953925
3-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride
CID 120812450
4-tert-butyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811336
4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide;hydrochloride
CID 120811888
2-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120812609
2-(2,6-dimethylphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120813836
2-(3-propan-2-yloxyphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120812892

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride?
The IUPAC name of 2-(5-methylthiophen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride (CID 120812458) is 2-(5-methylthiophen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride is Cc1ccc(CC(=O)NCC(N2CCNCC2)C(F)(F)F)s1.Cl.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride?
The InChIKey is YNKIPYGIYWPWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3OS.ClH/c1-10-2-3-11(22-10)8-13(21)19-9-12(14(15,16)17)20-6-4-18-5-7-20;/h2-3,12,18H,4-9H2,1H3,(H,19,21);1H.
What are the key properties of 2-(5-methylthiophen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride?
2-(5-methylthiophen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride has a molecular weight of 371.86 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride is sourced from PubChem (CID 120812458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).