2-(4-hydroxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide

C15H20F3N3O3 — CID 120813757

IUPAC2-(4-hydroxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
SMILESO=C(COc1ccc(O)cc1)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C15H20F3N3O3/c16-15(17,18)13(21-7-5-19-6-8-21)9-20-14(23)10-24-12-3-1-11(22)2-4-12/h1-4,13,19,22H,5-10H2,(H,20,23)
InChIKeyGMPFHBRHESULDA-UHFFFAOYSA-N
MW347.34 g/mol
LogP0.72
Rot. Bonds6

About 2-(4-hydroxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide

2-(4-hydroxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide (PubChem CID 120813757) has the molecular formula C15H20F3N3O3 and a molecular weight of 347.34 g/mol. Its IUPAC name is 2-(4-hydroxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-hydroxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
PubChem CID120813757
Molecular FormulaC15H20F3N3O3
Molecular Weight347.34 g/mol
Exact Mass347.15
IUPAC Name2-(4-hydroxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
SMILESO=C(COc1ccc(O)cc1)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C15H20F3N3O3/c16-15(17,18)13(21-7-5-19-6-8-21)9-20-14(23)10-24-12-3-1-11(22)2-4-12/h1-4,13,19,22H,5-10H2,(H,20,23)
InChIKeyGMPFHBRHESULDA-UHFFFAOYSA-N
XLogP0.72
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
The IUPAC name of 2-(4-hydroxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide (CID 120813757) is 2-(4-hydroxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-hydroxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(4-hydroxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide is O=C(COc1ccc(O)cc1)NCC(N1CCNCC1)C(F)(F)F.
What is the InChIKey of 2-(4-hydroxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
The InChIKey is GMPFHBRHESULDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O3/c16-15(17,18)13(21-7-5-19-6-8-21)9-20-14(23)10-24-12-3-1-11(22)2-4-12/h1-4,13,19,22H,5-10H2,(H,20,23).
What are the key properties of 2-(4-hydroxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
2-(4-hydroxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide has a molecular weight of 347.34 g/mol, XLogP of 0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide is sourced from PubChem (CID 120813757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).