5-bromo-3-hydroxy-6-(3-methoxy-3-methylpiperidin-1-yl)-1,3-dihydroindol-2-one

C15H19BrN2O3 — CID 107393568

IUPAC5-bromo-3-hydroxy-6-(3-methoxy-3-methylpiperidin-1-yl)-1,3-dihydroindol-2-one
SMILESCOC1(C)CCCN(c2cc3c(cc2Br)C(O)C(=O)N3)C1
InChIInChI=1S/C15H19BrN2O3/c1-15(21-2)4-3-5-18(8-15)12-7-11-9(6-10(12)16)13(19)14(20)17-11/h6-7,13,19H,3-5,8H2,1-2H3,(H,17,20)
InChIKeyYFIHVNATZZNSKJ-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.44
Rot. Bonds2

About 5-bromo-3-hydroxy-6-(3-methoxy-3-methylpiperidin-1-yl)-1,3-dihydroindol-2-one

5-bromo-3-hydroxy-6-(3-methoxy-3-methylpiperidin-1-yl)-1,3-dihydroindol-2-one (PubChem CID 107393568) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 5-bromo-3-hydroxy-6-(3-methoxy-3-methylpiperidin-1-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-hydroxy-6-(3-methoxy-3-methylpiperidin-1-yl)-1,3-dihydroindol-2-one
PubChem CID107393568
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name5-bromo-3-hydroxy-6-(3-methoxy-3-methylpiperidin-1-yl)-1,3-dihydroindol-2-one
SMILESCOC1(C)CCCN(c2cc3c(cc2Br)C(O)C(=O)N3)C1
InChIInChI=1S/C15H19BrN2O3/c1-15(21-2)4-3-5-18(8-15)12-7-11-9(6-10(12)16)13(19)14(20)17-11/h6-7,13,19H,3-5,8H2,1-2H3,(H,17,20)
InChIKeyYFIHVNATZZNSKJ-UHFFFAOYSA-N
XLogP2.44
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.44
H-Bond Donors ≤ 52
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-bromo-6-(2,2-dimethylmorpholin-4-yl)-3-hydroxy-1,3-dihydroindol-2-one
CID 79336741
5-bromo-3-hydroxy-6-[4-(methoxymethyl)piperidin-1-yl]-1,3-dihydroindol-2-one
CID 79344151
5-bromo-3-hydroxy-6-(3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one
CID 79336678
5-chloro-6-(3,3-dimethylpiperidin-1-yl)-3-hydroxy-1,3-dihydroindol-2-one
CID 79335870
5-bromo-3-hydroxy-6-(4-propylpiperazin-1-yl)-1,3-dihydroindol-2-one
CID 79343686
5-bromo-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-hydroxy-1,3-dihydroindol-2-one
CID 79343678
6-(azepan-1-yl)-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79336064
6-(azocan-1-yl)-5-bromo-3-(methylamino)-1,3-dihydroindol-2-one
CID 79344878
(1R)-1-[3-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]ethanamine
CID 107393114
3,5-dibromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine
CID 107394464
5-bromo-3-(ethylamino)-6-piperidin-1-yl-1,3-dihydroindol-2-one
CID 79343706
5-chloro-6-(2,2-dimethylmorpholin-4-yl)-3-hydroxy-1,3-dihydroindol-2-one
CID 79336349

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-hydroxy-6-(3-methoxy-3-methylpiperidin-1-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-hydroxy-6-(3-methoxy-3-methylpiperidin-1-yl)-1,3-dihydroindol-2-one (CID 107393568) is 5-bromo-3-hydroxy-6-(3-methoxy-3-methylpiperidin-1-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-hydroxy-6-(3-methoxy-3-methylpiperidin-1-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-hydroxy-6-(3-methoxy-3-methylpiperidin-1-yl)-1,3-dihydroindol-2-one is COC1(C)CCCN(c2cc3c(cc2Br)C(O)C(=O)N3)C1.
What is the InChIKey of 5-bromo-3-hydroxy-6-(3-methoxy-3-methylpiperidin-1-yl)-1,3-dihydroindol-2-one?
The InChIKey is YFIHVNATZZNSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-15(21-2)4-3-5-18(8-15)12-7-11-9(6-10(12)16)13(19)14(20)17-11/h6-7,13,19H,3-5,8H2,1-2H3,(H,17,20).
What are the key properties of 5-bromo-3-hydroxy-6-(3-methoxy-3-methylpiperidin-1-yl)-1,3-dihydroindol-2-one?
5-bromo-3-hydroxy-6-(3-methoxy-3-methylpiperidin-1-yl)-1,3-dihydroindol-2-one has a molecular weight of 355.23 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-hydroxy-6-(3-methoxy-3-methylpiperidin-1-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 107393568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).