5-fluoro-3-hydroxy-6-(4-propylpiperidin-1-yl)-1,3-dihydroindol-2-one

C16H21FN2O2 — CID 80746743

IUPAC5-fluoro-3-hydroxy-6-(4-propylpiperidin-1-yl)-1,3-dihydroindol-2-one
SMILESCCCC1CCN(c2cc3c(cc2F)C(O)C(=O)N3)CC1
InChIInChI=1S/C16H21FN2O2/c1-2-3-10-4-6-19(7-5-10)14-9-13-11(8-12(14)17)15(20)16(21)18-13/h8-10,15,20H,2-7H2,1H3,(H,18,21)
InChIKeyVCFHBRVQKZPDOE-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.83
Rot. Bonds3

About 5-fluoro-3-hydroxy-6-(4-propylpiperidin-1-yl)-1,3-dihydroindol-2-one

5-fluoro-3-hydroxy-6-(4-propylpiperidin-1-yl)-1,3-dihydroindol-2-one (PubChem CID 80746743) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 5-fluoro-3-hydroxy-6-(4-propylpiperidin-1-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-hydroxy-6-(4-propylpiperidin-1-yl)-1,3-dihydroindol-2-one
PubChem CID80746743
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name5-fluoro-3-hydroxy-6-(4-propylpiperidin-1-yl)-1,3-dihydroindol-2-one
SMILESCCCC1CCN(c2cc3c(cc2F)C(O)C(=O)N3)CC1
InChIInChI=1S/C16H21FN2O2/c1-2-3-10-4-6-19(7-5-10)14-9-13-11(8-12(14)17)15(20)16(21)18-13/h8-10,15,20H,2-7H2,1H3,(H,18,21)
InChIKeyVCFHBRVQKZPDOE-UHFFFAOYSA-N
XLogP2.83
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-3-hydroxy-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dihydroindol-2-one
CID 106836471
5-fluoro-3-hydroxy-6-morpholin-4-yl-1,3-dihydroindol-2-one
CID 80759185
6-(4-ethyl-3-methylpiperazin-1-yl)-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
CID 80747351
6-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
CID 80747352
5-bromo-3-hydroxy-6-[4-(methoxymethyl)piperidin-1-yl]-1,3-dihydroindol-2-one
CID 79344151
5-fluoro-3-hydroxy-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-dihydroindol-2-one
CID 114411382
5-fluoro-3-hydroxy-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one
CID 102889567
5-bromo-3-hydroxy-6-(4-propylpiperazin-1-yl)-1,3-dihydroindol-2-one
CID 79343686
5-fluoro-3-hydroxy-6-(3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one
CID 80758681
5,6-difluoro-3-hydroxy-1,3-dihydroindol-2-one
CID 61361646
3-[[3-fluoro-4-(4-propylpiperidin-1-yl)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one
CID 91126660
6-(azepan-1-yl)-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79336064

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-hydroxy-6-(4-propylpiperidin-1-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-hydroxy-6-(4-propylpiperidin-1-yl)-1,3-dihydroindol-2-one (CID 80746743) is 5-fluoro-3-hydroxy-6-(4-propylpiperidin-1-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-hydroxy-6-(4-propylpiperidin-1-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-hydroxy-6-(4-propylpiperidin-1-yl)-1,3-dihydroindol-2-one is CCCC1CCN(c2cc3c(cc2F)C(O)C(=O)N3)CC1.
What is the InChIKey of 5-fluoro-3-hydroxy-6-(4-propylpiperidin-1-yl)-1,3-dihydroindol-2-one?
The InChIKey is VCFHBRVQKZPDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-2-3-10-4-6-19(7-5-10)14-9-13-11(8-12(14)17)15(20)16(21)18-13/h8-10,15,20H,2-7H2,1H3,(H,18,21).
What are the key properties of 5-fluoro-3-hydroxy-6-(4-propylpiperidin-1-yl)-1,3-dihydroindol-2-one?
5-fluoro-3-hydroxy-6-(4-propylpiperidin-1-yl)-1,3-dihydroindol-2-one has a molecular weight of 292.35 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-hydroxy-6-(4-propylpiperidin-1-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 80746743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).