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

C14H19ClF3N3O2 — CID 24761087

IUPAC2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
SMILESCN1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1.Cl
InChIInChI=1S/C14H18F3N3O2.ClH/c1-19-6-8-20(9-7-19)10-13(21)18-11-2-4-12(5-3-11)22-14(15,16)17;/h2-5H,6-10H2,1H3,(H,18,21);1H
InChIKeyMAXXGLADEQFYDW-UHFFFAOYSA-N
MW353.77 g/mol
LogP2.19
Rot. Bonds4

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

2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride (PubChem CID 24761087) has the molecular formula C14H19ClF3N3O2 and a molecular weight of 353.77 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
PubChem CID24761087
Molecular FormulaC14H19ClF3N3O2
Molecular Weight353.77 g/mol
Exact Mass353.11
IUPAC Name2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
SMILESCN1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1.Cl
InChIInChI=1S/C14H18F3N3O2.ClH/c1-19-6-8-20(9-7-19)10-13(21)18-11-2-4-12(5-3-11)22-14(15,16)17;/h2-5H,6-10H2,1H3,(H,18,21);1H
InChIKeyMAXXGLADEQFYDW-UHFFFAOYSA-N
XLogP2.19
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.77
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride (CID 24761087) is 2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride is CN1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1.Cl.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride?
The InChIKey is MAXXGLADEQFYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2.ClH/c1-19-6-8-20(9-7-19)10-13(21)18-11-2-4-12(5-3-11)22-14(15,16)17;/h2-5H,6-10H2,1H3,(H,18,21);1H.
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride?
2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride has a molecular weight of 353.77 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 24761087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).