5-fluoro-7-(piperazin-1-ylmethyl)-1,3-dihydroindol-2-one

C13H16FN3O — CID 117376008

IUPAC5-fluoro-7-(piperazin-1-ylmethyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(F)cc(CN3CCNCC3)c2N1
InChIInChI=1S/C13H16FN3O/c14-11-5-9-7-12(18)16-13(9)10(6-11)8-17-3-1-15-2-4-17/h5-6,15H,1-4,7-8H2,(H,16,18)
InChIKeyZMFJAHAMFGEQAH-UHFFFAOYSA-N
MW249.29 g/mol
LogP0.73
Rot. Bonds2

About 5-fluoro-7-(piperazin-1-ylmethyl)-1,3-dihydroindol-2-one

5-fluoro-7-(piperazin-1-ylmethyl)-1,3-dihydroindol-2-one (PubChem CID 117376008) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 5-fluoro-7-(piperazin-1-ylmethyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-7-(piperazin-1-ylmethyl)-1,3-dihydroindol-2-one
PubChem CID117376008
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name5-fluoro-7-(piperazin-1-ylmethyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(F)cc(CN3CCNCC3)c2N1
InChIInChI=1S/C13H16FN3O/c14-11-5-9-7-12(18)16-13(9)10(6-11)8-17-3-1-15-2-4-17/h5-6,15H,1-4,7-8H2,(H,16,18)
InChIKeyZMFJAHAMFGEQAH-UHFFFAOYSA-N
XLogP0.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-(aminomethyl)-5-fluoro-1,3-dihydroindol-2-one
CID 82190628
1-[(3-bromo-2,5-difluorophenyl)methyl]piperazine
CID 117470195
1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 22975139
ethane;1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 142195714
1-[(2,4-difluorophenyl)methyl]piperazine;hydrochloride
CID 90039977
1-[5-fluoro-2-hydroxy-3-(piperazin-1-ylmethyl)phenyl]ethanone
CID 55028009
1-[(5-fluoro-3-methoxy-2-methylphenyl)methyl]piperazine
CID 84700768
1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 134413230
1-[(4-fluoro-2-methoxy-5-methylphenyl)methyl]piperazine
CID 117349508
1-[(5-fluoro-2-methoxy-3-methylsulfanylphenyl)methyl]piperazine
CID 117429286
1-[(2,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride
CID 46736385
1-[(2-cyclopropyloxy-5-fluorophenyl)methyl]piperazine
CID 117379378

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-(piperazin-1-ylmethyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-7-(piperazin-1-ylmethyl)-1,3-dihydroindol-2-one (CID 117376008) is 5-fluoro-7-(piperazin-1-ylmethyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-7-(piperazin-1-ylmethyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-7-(piperazin-1-ylmethyl)-1,3-dihydroindol-2-one is O=C1Cc2cc(F)cc(CN3CCNCC3)c2N1.
What is the InChIKey of 5-fluoro-7-(piperazin-1-ylmethyl)-1,3-dihydroindol-2-one?
The InChIKey is ZMFJAHAMFGEQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c14-11-5-9-7-12(18)16-13(9)10(6-11)8-17-3-1-15-2-4-17/h5-6,15H,1-4,7-8H2,(H,16,18).
What are the key properties of 5-fluoro-7-(piperazin-1-ylmethyl)-1,3-dihydroindol-2-one?
5-fluoro-7-(piperazin-1-ylmethyl)-1,3-dihydroindol-2-one has a molecular weight of 249.29 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-(piperazin-1-ylmethyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 117376008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).