N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2,3,4-trifluorophenyl)acetamide

C15H18F3N3O2 — CID 113181233

IUPACN-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)N1CCN(C)CC1)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H18F3N3O2/c1-10(22)21(12-4-3-11(16)14(17)15(12)18)9-13(23)20-7-5-19(2)6-8-20/h3-4H,5-9H2,1-2H3
InChIKeyXQIRXTKFRGGFLG-UHFFFAOYSA-N
MW329.32 g/mol
LogP1.23
Rot. Bonds3

About N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2,3,4-trifluorophenyl)acetamide

N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 113181233) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID113181233
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC NameN-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)N1CCN(C)CC1)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H18F3N3O2/c1-10(22)21(12-4-3-11(16)14(17)15(12)18)9-13(23)20-7-5-19(2)6-8-20/h3-4H,5-9H2,1-2H3
InChIKeyXQIRXTKFRGGFLG-UHFFFAOYSA-N
XLogP1.23
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113171492
N-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113171118
N-(5-chloro-2-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113172796
N-(2-tert-butylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113170409
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-(2,3,4-trifluorophenyl)methanesulfonamide
CID 113147065
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)acetamide
CID 113170791
methyl 4-[acetyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]benzoate
CID 113176365
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 113169937
N-[4-[acetyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]phenyl]acetamide
CID 113175895
N-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113179337
N-(4-bromo-3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113178154
N-(2,5-dichlorophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113133960

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2,3,4-trifluorophenyl)acetamide (CID 113181233) is N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2,3,4-trifluorophenyl)acetamide is CC(=O)N(CC(=O)N1CCN(C)CC1)c1ccc(F)c(F)c1F.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is XQIRXTKFRGGFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2/c1-10(22)21(12-4-3-11(16)14(17)15(12)18)9-13(23)20-7-5-19(2)6-8-20/h3-4H,5-9H2,1-2H3.
What are the key properties of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2,3,4-trifluorophenyl)acetamide?
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 329.32 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 113181233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).