2-(3,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide

C15H19F2N3O2 — CID 119454657

IUPAC2-(3,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide
SMILESCN(CC(=O)N1CCNCC1)C(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C15H19F2N3O2/c1-19(10-15(22)20-6-4-18-5-7-20)14(21)9-11-2-3-12(16)13(17)8-11/h2-3,8,18H,4-7,9-10H2,1H3
InChIKeyLKXAUCARMSEZKN-UHFFFAOYSA-N
MW311.33 g/mol
LogP0.40
Rot. Bonds4

About 2-(3,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide

2-(3,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide (PubChem CID 119454657) has the molecular formula C15H19F2N3O2 and a molecular weight of 311.33 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide
PubChem CID119454657
Molecular FormulaC15H19F2N3O2
Molecular Weight311.33 g/mol
Exact Mass311.14
IUPAC Name2-(3,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide
SMILESCN(CC(=O)N1CCNCC1)C(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C15H19F2N3O2/c1-19(10-15(22)20-6-4-18-5-7-20)14(21)9-11-2-3-12(16)13(17)8-11/h2-3,8,18H,4-7,9-10H2,1H3
InChIKeyLKXAUCARMSEZKN-UHFFFAOYSA-N
XLogP0.40
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119454929
2-(2,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119454848
2-(3,4-difluorophenyl)-1-pyrrolidin-1-ylethanone
CID 71683361
5-bromo-2-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454675
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propanamide
CID 43603133
2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 61018400
2-(4-chlorophenoxy)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119454727
2-fluoro-N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454843
2-fluoro-5-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]benzonitrile
CID 107883048
3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 43603186
2,4-difluoro-N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 119454543
4-bromo-3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454573

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide (CID 119454657) is 2-(3,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide is CN(CC(=O)N1CCNCC1)C(=O)Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide?
The InChIKey is LKXAUCARMSEZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O2/c1-19(10-15(22)20-6-4-18-5-7-20)14(21)9-11-2-3-12(16)13(17)8-11/h2-3,8,18H,4-7,9-10H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide?
2-(3,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide has a molecular weight of 311.33 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide is sourced from PubChem (CID 119454657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).