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

C15H19BrN2O2 — CID 22332429

IUPAC7-bromo-3-hydroxy-5-methyl-3-(3-methylpiperidin-1-yl)-1H-indol-2-one
SMILESCc1cc(Br)c2c(c1)C(O)(N1CCCC(C)C1)C(=O)N2
InChIInChI=1S/C15H19BrN2O2/c1-9-4-3-5-18(8-9)15(20)11-6-10(2)7-12(16)13(11)17-14(15)19/h6-7,9,20H,3-5,8H2,1-2H3,(H,17,19)
InChIKeyXGPJWGZOPHUJPO-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.59
Rot. Bonds1

About 7-bromo-3-hydroxy-5-methyl-3-(3-methylpiperidin-1-yl)-1H-indol-2-one

7-bromo-3-hydroxy-5-methyl-3-(3-methylpiperidin-1-yl)-1H-indol-2-one (PubChem CID 22332429) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 7-bromo-3-hydroxy-5-methyl-3-(3-methylpiperidin-1-yl)-1H-indol-2-one.

Molecular Properties

Compound Name7-bromo-3-hydroxy-5-methyl-3-(3-methylpiperidin-1-yl)-1H-indol-2-one
PubChem CID22332429
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name7-bromo-3-hydroxy-5-methyl-3-(3-methylpiperidin-1-yl)-1H-indol-2-one
SMILESCc1cc(Br)c2c(c1)C(O)(N1CCCC(C)C1)C(=O)N2
InChIInChI=1S/C15H19BrN2O2/c1-9-4-3-5-18(8-9)15(20)11-6-10(2)7-12(16)13(11)17-14(15)19/h6-7,9,20H,3-5,8H2,1-2H3,(H,17,19)
InChIKeyXGPJWGZOPHUJPO-UHFFFAOYSA-N
XLogP2.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-hydroxy-5-methyl-3-(3-methylpiperidin-1-yl)-1H-indol-2-one?
The IUPAC name of 7-bromo-3-hydroxy-5-methyl-3-(3-methylpiperidin-1-yl)-1H-indol-2-one (CID 22332429) is 7-bromo-3-hydroxy-5-methyl-3-(3-methylpiperidin-1-yl)-1H-indol-2-one.
What is the SMILES notation for 7-bromo-3-hydroxy-5-methyl-3-(3-methylpiperidin-1-yl)-1H-indol-2-one?
The canonical SMILES for 7-bromo-3-hydroxy-5-methyl-3-(3-methylpiperidin-1-yl)-1H-indol-2-one is Cc1cc(Br)c2c(c1)C(O)(N1CCCC(C)C1)C(=O)N2.
What is the InChIKey of 7-bromo-3-hydroxy-5-methyl-3-(3-methylpiperidin-1-yl)-1H-indol-2-one?
The InChIKey is XGPJWGZOPHUJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-9-4-3-5-18(8-9)15(20)11-6-10(2)7-12(16)13(11)17-14(15)19/h6-7,9,20H,3-5,8H2,1-2H3,(H,17,19).
What are the key properties of 7-bromo-3-hydroxy-5-methyl-3-(3-methylpiperidin-1-yl)-1H-indol-2-one?
7-bromo-3-hydroxy-5-methyl-3-(3-methylpiperidin-1-yl)-1H-indol-2-one has a molecular weight of 339.23 g/mol, XLogP of 2.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-hydroxy-5-methyl-3-(3-methylpiperidin-1-yl)-1H-indol-2-one is sourced from PubChem (CID 22332429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).