5-fluoro-3-hydroxy-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dihydroindol-2-one

C15H19FN2O3 — CID 106836471

IUPAC5-fluoro-3-hydroxy-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dihydroindol-2-one
SMILESCC(O)C1CCN(c2cc3c(cc2F)C(O)C(=O)N3)CC1
InChIInChI=1S/C15H19FN2O3/c1-8(19)9-2-4-18(5-3-9)13-7-12-10(6-11(13)16)14(20)15(21)17-12/h6-9,14,19-20H,2-5H2,1H3,(H,17,21)
InChIKeyXSSQQDOCVOAMDA-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.41
Rot. Bonds2

About 5-fluoro-3-hydroxy-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dihydroindol-2-one

5-fluoro-3-hydroxy-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dihydroindol-2-one (PubChem CID 106836471) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 5-fluoro-3-hydroxy-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-hydroxy-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dihydroindol-2-one
PubChem CID106836471
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name5-fluoro-3-hydroxy-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dihydroindol-2-one
SMILESCC(O)C1CCN(c2cc3c(cc2F)C(O)C(=O)N3)CC1
InChIInChI=1S/C15H19FN2O3/c1-8(19)9-2-4-18(5-3-9)13-7-12-10(6-11(13)16)14(20)15(21)17-12/h6-9,14,19-20H,2-5H2,1H3,(H,17,21)
InChIKeyXSSQQDOCVOAMDA-UHFFFAOYSA-N
XLogP1.41
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-propylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 80746743
5-fluoro-3-hydroxy-6-morpholin-4-yl-1,3-dihydroindol-2-one
CID 80759185
5-chloro-3-hydroxy-6-(4-propan-2-ylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 103498520
5-fluoro-3-hydroxy-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-dihydroindol-2-one
CID 114411382
6-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
CID 80747352
6-(4-ethyl-3-methylpiperazin-1-yl)-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
CID 80747351
5-fluoro-3-hydroxy-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one
CID 102889567
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
5-fluoro-6-(4-propan-2-ylpiperidin-1-yl)-1H-indole-2,3-dione
CID 103496641
6-[cyclohexyl(methyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
CID 80758932
1-[1-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]ethanol
CID 106836510

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-hydroxy-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-hydroxy-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dihydroindol-2-one (CID 106836471) is 5-fluoro-3-hydroxy-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-hydroxy-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-hydroxy-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dihydroindol-2-one is CC(O)C1CCN(c2cc3c(cc2F)C(O)C(=O)N3)CC1.
What is the InChIKey of 5-fluoro-3-hydroxy-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dihydroindol-2-one?
The InChIKey is XSSQQDOCVOAMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-8(19)9-2-4-18(5-3-9)13-7-12-10(6-11(13)16)14(20)15(21)17-12/h6-9,14,19-20H,2-5H2,1H3,(H,17,21).
What are the key properties of 5-fluoro-3-hydroxy-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dihydroindol-2-one?
5-fluoro-3-hydroxy-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dihydroindol-2-one has a molecular weight of 294.33 g/mol, XLogP of 1.41, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-hydroxy-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 106836471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).