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

C18H27ClF3N3O3 — CID 120812152

IUPAC2-(4-propoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
SMILESCCCOc1ccc(OCC(=O)NCC(N2CCNCC2)C(F)(F)F)cc1.Cl
InChIInChI=1S/C18H26F3N3O3.ClH/c1-2-11-26-14-3-5-15(6-4-14)27-13-17(25)23-12-16(18(19,20)21)24-9-7-22-8-10-24;/h3-6,16,22H,2,7-13H2,1H3,(H,23,25);1H
InChIKeyNHMWXARBQYWINI-UHFFFAOYSA-N
MW425.88 g/mol
LogP2.23
Rot. Bonds9

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

2-(4-propoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride (PubChem CID 120812152) has the molecular formula C18H27ClF3N3O3 and a molecular weight of 425.88 g/mol. Its IUPAC name is 2-(4-propoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-propoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
PubChem CID120812152
Molecular FormulaC18H27ClF3N3O3
Molecular Weight425.88 g/mol
Exact Mass425.17
IUPAC Name2-(4-propoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
SMILESCCCOc1ccc(OCC(=O)NCC(N2CCNCC2)C(F)(F)F)cc1.Cl
InChIInChI=1S/C18H26F3N3O3.ClH/c1-2-11-26-14-3-5-15(6-4-14)27-13-17(25)23-12-16(18(19,20)21)24-9-7-22-8-10-24;/h3-6,16,22H,2,7-13H2,1H3,(H,23,25);1H
InChIKeyNHMWXARBQYWINI-UHFFFAOYSA-N
XLogP2.23
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.88
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811739
2-(4-hydroxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120813757
2-(3-methylphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120813457
2-(2-ethylphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120813460
2-(2,6-dimethylphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120813836
2-(2-ethoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120813841
2-(3-chlorophenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811277
3-(3,4-dimethylphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 120813724
2-(2,5-dimethylphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120810955
2-phenylmethoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120811246
2-(5-methyl-2-propan-2-ylphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811307
2-(2-nitrophenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120811752

Frequently Asked Questions

What is the IUPAC name of 2-(4-propoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride?
The IUPAC name of 2-(4-propoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride (CID 120812152) is 2-(4-propoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-propoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-propoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride is CCCOc1ccc(OCC(=O)NCC(N2CCNCC2)C(F)(F)F)cc1.Cl.
What is the InChIKey of 2-(4-propoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride?
The InChIKey is NHMWXARBQYWINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N3O3.ClH/c1-2-11-26-14-3-5-15(6-4-14)27-13-17(25)23-12-16(18(19,20)21)24-9-7-22-8-10-24;/h3-6,16,22H,2,7-13H2,1H3,(H,23,25);1H.
What are the key properties of 2-(4-propoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride?
2-(4-propoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride has a molecular weight of 425.88 g/mol, XLogP of 2.23, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride is sourced from PubChem (CID 120812152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).