5-bromo-3-hydroxy-1-methyl-3-(3-methylpiperidin-1-yl)indol-2-one

C15H19BrN2O2 — CID 22332431

IUPAC5-bromo-3-hydroxy-1-methyl-3-(3-methylpiperidin-1-yl)indol-2-one
SMILESCC1CCCN(C2(O)C(=O)N(C)c3ccc(Br)cc32)C1
InChIInChI=1S/C15H19BrN2O2/c1-10-4-3-7-18(9-10)15(20)12-8-11(16)5-6-13(12)17(2)14(15)19/h5-6,8,10,20H,3-4,7,9H2,1-2H3
InChIKeyDNWYSBUPRYSMBT-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.30
Rot. Bonds1

About 5-bromo-3-hydroxy-1-methyl-3-(3-methylpiperidin-1-yl)indol-2-one

5-bromo-3-hydroxy-1-methyl-3-(3-methylpiperidin-1-yl)indol-2-one (PubChem CID 22332431) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 5-bromo-3-hydroxy-1-methyl-3-(3-methylpiperidin-1-yl)indol-2-one.

Molecular Properties

Compound Name5-bromo-3-hydroxy-1-methyl-3-(3-methylpiperidin-1-yl)indol-2-one
PubChem CID22332431
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name5-bromo-3-hydroxy-1-methyl-3-(3-methylpiperidin-1-yl)indol-2-one
SMILESCC1CCCN(C2(O)C(=O)N(C)c3ccc(Br)cc32)C1
InChIInChI=1S/C15H19BrN2O2/c1-10-4-3-7-18(9-10)15(20)12-8-11(16)5-6-13(12)17(2)14(15)19/h5-6,8,10,20H,3-4,7,9H2,1-2H3
InChIKeyDNWYSBUPRYSMBT-UHFFFAOYSA-N
XLogP2.30
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-hydroxy-1-methyl-3-(3-methylpiperidin-1-yl)indol-2-one?
The IUPAC name of 5-bromo-3-hydroxy-1-methyl-3-(3-methylpiperidin-1-yl)indol-2-one (CID 22332431) is 5-bromo-3-hydroxy-1-methyl-3-(3-methylpiperidin-1-yl)indol-2-one.
What is the SMILES notation for 5-bromo-3-hydroxy-1-methyl-3-(3-methylpiperidin-1-yl)indol-2-one?
The canonical SMILES for 5-bromo-3-hydroxy-1-methyl-3-(3-methylpiperidin-1-yl)indol-2-one is CC1CCCN(C2(O)C(=O)N(C)c3ccc(Br)cc32)C1.
What is the InChIKey of 5-bromo-3-hydroxy-1-methyl-3-(3-methylpiperidin-1-yl)indol-2-one?
The InChIKey is DNWYSBUPRYSMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-10-4-3-7-18(9-10)15(20)12-8-11(16)5-6-13(12)17(2)14(15)19/h5-6,8,10,20H,3-4,7,9H2,1-2H3.
What are the key properties of 5-bromo-3-hydroxy-1-methyl-3-(3-methylpiperidin-1-yl)indol-2-one?
5-bromo-3-hydroxy-1-methyl-3-(3-methylpiperidin-1-yl)indol-2-one has a molecular weight of 339.23 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-hydroxy-1-methyl-3-(3-methylpiperidin-1-yl)indol-2-one is sourced from PubChem (CID 22332431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).