2-(2,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride

C15H20ClF2N3O2 — CID 119454848

IUPAC2-(2,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride
SMILESCN(CC(=O)N1CCNCC1)C(=O)Cc1ccc(F)cc1F.Cl
InChIInChI=1S/C15H19F2N3O2.ClH/c1-19(10-15(22)20-6-4-18-5-7-20)14(21)8-11-2-3-12(16)9-13(11)17;/h2-3,9,18H,4-8,10H2,1H3;1H
InChIKeyDSHPIWUAMFDOBF-UHFFFAOYSA-N
MW347.79 g/mol
LogP0.82
Rot. Bonds4

About 2-(2,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride

2-(2,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride (PubChem CID 119454848) has the molecular formula C15H20ClF2N3O2 and a molecular weight of 347.79 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride
PubChem CID119454848
Molecular FormulaC15H20ClF2N3O2
Molecular Weight347.79 g/mol
Exact Mass347.12
IUPAC Name2-(2,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride
SMILESCN(CC(=O)N1CCNCC1)C(=O)Cc1ccc(F)cc1F.Cl
InChIInChI=1S/C15H19F2N3O2.ClH/c1-19(10-15(22)20-6-4-18-5-7-20)14(21)8-11-2-3-12(16)9-13(11)17;/h2-3,9,18H,4-8,10H2,1H3;1H
InChIKeyDSHPIWUAMFDOBF-UHFFFAOYSA-N
XLogP0.82
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.79
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide
CID 119454657
3-[(2,4-difluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one
CID 120980650
2-(4-chlorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119454929
1-[2-[[2-(2,4-difluorophenyl)acetyl]-methylamino]acetyl]piperidine-3-carboxylic acid
CID 120534241
2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 62134144
3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 43603186
4-bromo-3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454573
2-(2,5-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119401623
2-[(2-bromo-5-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 61017528
3-[(4-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980411
2-fluoro-N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454843
N-(2,5-difluorophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119915065

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride?
The IUPAC name of 2-(2,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride (CID 119454848) is 2-(2,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride is CN(CC(=O)N1CCNCC1)C(=O)Cc1ccc(F)cc1F.Cl.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride?
The InChIKey is DSHPIWUAMFDOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O2.ClH/c1-19(10-15(22)20-6-4-18-5-7-20)14(21)8-11-2-3-12(16)9-13(11)17;/h2-3,9,18H,4-8,10H2,1H3;1H.
What are the key properties of 2-(2,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride?
2-(2,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride has a molecular weight of 347.79 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride is sourced from PubChem (CID 119454848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).