3-bromo-1-[(3-fluorophenyl)methyl]-4-piperazin-1-ylpyridin-2-one

C16H17BrFN3O — CID 174481544

IUPAC3-bromo-1-[(3-fluorophenyl)methyl]-4-piperazin-1-ylpyridin-2-one
SMILESO=c1c(Br)c(N2CCNCC2)ccn1Cc1cccc(F)c1
InChIInChI=1S/C16H17BrFN3O/c17-15-14(20-8-5-19-6-9-20)4-7-21(16(15)22)11-12-2-1-3-13(18)10-12/h1-4,7,10,19H,5-6,8-9,11H2
InChIKeyDFYJPZWUEKQQHC-UHFFFAOYSA-N
MW366.23 g/mol
LogP2.21
Rot. Bonds3

About 3-bromo-1-[(3-fluorophenyl)methyl]-4-piperazin-1-ylpyridin-2-one

3-bromo-1-[(3-fluorophenyl)methyl]-4-piperazin-1-ylpyridin-2-one (PubChem CID 174481544) has the molecular formula C16H17BrFN3O and a molecular weight of 366.23 g/mol. Its IUPAC name is 3-bromo-1-[(3-fluorophenyl)methyl]-4-piperazin-1-ylpyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-[(3-fluorophenyl)methyl]-4-piperazin-1-ylpyridin-2-one
PubChem CID174481544
Molecular FormulaC16H17BrFN3O
Molecular Weight366.23 g/mol
Exact Mass365.05
IUPAC Name3-bromo-1-[(3-fluorophenyl)methyl]-4-piperazin-1-ylpyridin-2-one
SMILESO=c1c(Br)c(N2CCNCC2)ccn1Cc1cccc(F)c1
InChIInChI=1S/C16H17BrFN3O/c17-15-14(20-8-5-19-6-9-20)4-7-21(16(15)22)11-12-2-1-3-13(18)10-12/h1-4,7,10,19H,5-6,8-9,11H2
InChIKeyDFYJPZWUEKQQHC-UHFFFAOYSA-N
XLogP2.21
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-1-[(3-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)pyridin-2-one;2,2,2-trifluoroacetic acid
CID 22051025
4-amino-3-bromo-1-[(3-fluorophenyl)methyl]pyridin-2-one;hydrochloride
CID 22050881
3-bromo-1-[(3-fluorophenyl)methyl]-4-phenylpyridin-2-one
CID 71201156
3-amino-1-[(3-fluorophenyl)methyl]pyridin-2-one
CID 62101796
1-[(3-fluorophenyl)methyl]-5-piperazin-1-yl-4H-3,1-benzoxazin-2-one
CID 11256326
N-[3-bromo-1-[(3-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-4-fluorobenzamide
CID 22050757
1-[(3-fluorophenyl)methyl]piperazine;dihydrochloride
CID 53422102
1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbaldehyde
CID 96600000
3-bromo-1-[(3-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridin-2-one
CID 11224847
[1-[(3-fluorophenyl)methyl]-2-oxo-4-(piperazin-1-ylmethyl)-3-pyridinyl] 2,2-dimethylpropanoate
CID 174666100
3-bromo-1-[(3-fluorophenyl)methyl]-4-[(3-methylphenyl)methoxy]pyridin-2-one
CID 10287556
5-bromo-3-[(3-fluorophenyl)methyl]-6-hydroxypyrimidin-4-one
CID 135737352

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[(3-fluorophenyl)methyl]-4-piperazin-1-ylpyridin-2-one?
The IUPAC name of 3-bromo-1-[(3-fluorophenyl)methyl]-4-piperazin-1-ylpyridin-2-one (CID 174481544) is 3-bromo-1-[(3-fluorophenyl)methyl]-4-piperazin-1-ylpyridin-2-one.
What is the SMILES notation for 3-bromo-1-[(3-fluorophenyl)methyl]-4-piperazin-1-ylpyridin-2-one?
The canonical SMILES for 3-bromo-1-[(3-fluorophenyl)methyl]-4-piperazin-1-ylpyridin-2-one is O=c1c(Br)c(N2CCNCC2)ccn1Cc1cccc(F)c1.
What is the InChIKey of 3-bromo-1-[(3-fluorophenyl)methyl]-4-piperazin-1-ylpyridin-2-one?
The InChIKey is DFYJPZWUEKQQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN3O/c17-15-14(20-8-5-19-6-9-20)4-7-21(16(15)22)11-12-2-1-3-13(18)10-12/h1-4,7,10,19H,5-6,8-9,11H2.
What are the key properties of 3-bromo-1-[(3-fluorophenyl)methyl]-4-piperazin-1-ylpyridin-2-one?
3-bromo-1-[(3-fluorophenyl)methyl]-4-piperazin-1-ylpyridin-2-one has a molecular weight of 366.23 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[(3-fluorophenyl)methyl]-4-piperazin-1-ylpyridin-2-one is sourced from PubChem (CID 174481544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).