2-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride

C15H21ClF3N3O2 — CID 24761112

IUPAC2-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
SMILESCCN1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1.Cl
InChIInChI=1S/C15H20F3N3O2.ClH/c1-2-20-7-9-21(10-8-20)11-14(22)19-12-3-5-13(6-4-12)23-15(16,17)18;/h3-6H,2,7-11H2,1H3,(H,19,22);1H
InChIKeyXOZKSECOSPTLBD-UHFFFAOYSA-N
MW367.80 g/mol
LogP2.58
Rot. Bonds5

About 2-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride

2-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride (PubChem CID 24761112) has the molecular formula C15H21ClF3N3O2 and a molecular weight of 367.80 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
PubChem CID24761112
Molecular FormulaC15H21ClF3N3O2
Molecular Weight367.80 g/mol
Exact Mass367.13
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
SMILESCCN1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1.Cl
InChIInChI=1S/C15H20F3N3O2.ClH/c1-2-20-7-9-21(10-8-20)11-14(22)19-12-3-5-13(6-4-12)23-15(16,17)18;/h3-6H,2,7-11H2,1H3,(H,19,22);1H
InChIKeyXOZKSECOSPTLBD-UHFFFAOYSA-N
XLogP2.58
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride (CID 24761112) is 2-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride is CCN1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1.Cl.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride?
The InChIKey is XOZKSECOSPTLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2.ClH/c1-2-20-7-9-21(10-8-20)11-14(22)19-12-3-5-13(6-4-12)23-15(16,17)18;/h3-6H,2,7-11H2,1H3,(H,19,22);1H.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride?
2-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride has a molecular weight of 367.80 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 24761112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).