4-(2-amino-4,5-difluorophenyl)-1-methylpiperazin-2-one

C11H13F2N3O — CID 112751827

IUPAC4-(2-amino-4,5-difluorophenyl)-1-methylpiperazin-2-one
SMILESCN1CCN(c2cc(F)c(F)cc2N)CC1=O
InChIInChI=1S/C11H13F2N3O/c1-15-2-3-16(6-11(15)17)10-5-8(13)7(12)4-9(10)14/h4-5H,2-3,6,14H2,1H3
InChIKeyREWMNRVJJILAGW-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.83
Rot. Bonds1

About 4-(2-amino-4,5-difluorophenyl)-1-methylpiperazin-2-one

4-(2-amino-4,5-difluorophenyl)-1-methylpiperazin-2-one (PubChem CID 112751827) has the molecular formula C11H13F2N3O and a molecular weight of 241.24 g/mol. Its IUPAC name is 4-(2-amino-4,5-difluorophenyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-amino-4,5-difluorophenyl)-1-methylpiperazin-2-one
PubChem CID112751827
Molecular FormulaC11H13F2N3O
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name4-(2-amino-4,5-difluorophenyl)-1-methylpiperazin-2-one
SMILESCN1CCN(c2cc(F)c(F)cc2N)CC1=O
InChIInChI=1S/C11H13F2N3O/c1-15-2-3-16(6-11(15)17)10-5-8(13)7(12)4-9(10)14/h4-5H,2-3,6,14H2,1H3
InChIKeyREWMNRVJJILAGW-UHFFFAOYSA-N
XLogP0.83
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-3,5-difluorophenyl)-1-methylpiperazin-2-one
CID 113325320
4-(2-amino-5-chlorophenyl)-1-methylpiperazin-2-one
CID 115469047
4-amino-3-(4-methyl-3-oxopiperazin-1-yl)benzoic acid
CID 82795949
4-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]-1-methylpiperazin-2-one
CID 64693226
4-(3,5-dichlorophenyl)-1-methylpiperazin-2-one
CID 117005230
4,5-difluoro-2-pyrrolidin-1-ylaniline
CID 130536593
5-amino-2-(4-methyl-3-oxopiperazin-1-yl)benzoic acid
CID 64694563
4-amino-2-(4-methyl-3-oxopiperazin-1-yl)benzoic acid
CID 64694972
4-(4-bromo-2-methylphenyl)-1-methylpiperazin-2-one
CID 117005223
4-(2,5-dimethylphenyl)-1-methylpiperazin-2-one
CID 117005173
4-(2-amino-4-methylsulfonylphenyl)-1-methyl-1,4-diazepan-2-one
CID 102888267
2-amino-4-(4-methyl-3-oxopiperazin-1-yl)benzenesulfonamide
CID 79466909

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4,5-difluorophenyl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(2-amino-4,5-difluorophenyl)-1-methylpiperazin-2-one (CID 112751827) is 4-(2-amino-4,5-difluorophenyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(2-amino-4,5-difluorophenyl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(2-amino-4,5-difluorophenyl)-1-methylpiperazin-2-one is CN1CCN(c2cc(F)c(F)cc2N)CC1=O.
What is the InChIKey of 4-(2-amino-4,5-difluorophenyl)-1-methylpiperazin-2-one?
The InChIKey is REWMNRVJJILAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O/c1-15-2-3-16(6-11(15)17)10-5-8(13)7(12)4-9(10)14/h4-5H,2-3,6,14H2,1H3.
What are the key properties of 4-(2-amino-4,5-difluorophenyl)-1-methylpiperazin-2-one?
4-(2-amino-4,5-difluorophenyl)-1-methylpiperazin-2-one has a molecular weight of 241.24 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4,5-difluorophenyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 112751827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).