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

C14H17BrN2O2 — CID 6420242

IUPAC5-bromo-3-hydroxy-3-(3-methylpiperidin-1-yl)-1H-indol-2-one
SMILESCC1CCCN(C2(O)C(=O)Nc3ccc(Br)cc32)C1
InChIInChI=1S/C14H17BrN2O2/c1-9-3-2-6-17(8-9)14(19)11-7-10(15)4-5-12(11)16-13(14)18/h4-5,7,9,19H,2-3,6,8H2,1H3,(H,16,18)
InChIKeyQKVONZJXQHGECQ-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.28
Rot. Bonds1

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

5-bromo-3-hydroxy-3-(3-methylpiperidin-1-yl)-1H-indol-2-one (PubChem CID 6420242) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 5-bromo-3-hydroxy-3-(3-methylpiperidin-1-yl)-1H-indol-2-one.

Molecular Properties

Compound Name5-bromo-3-hydroxy-3-(3-methylpiperidin-1-yl)-1H-indol-2-one
PubChem CID6420242
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name5-bromo-3-hydroxy-3-(3-methylpiperidin-1-yl)-1H-indol-2-one
SMILESCC1CCCN(C2(O)C(=O)Nc3ccc(Br)cc32)C1
InChIInChI=1S/C14H17BrN2O2/c1-9-3-2-6-17(8-9)14(19)11-7-10(15)4-5-12(11)16-13(14)18/h4-5,7,9,19H,2-3,6,8H2,1H3,(H,16,18)
InChIKeyQKVONZJXQHGECQ-UHFFFAOYSA-N
XLogP2.28
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-3-hydroxy-3-(3-methylpiperidin-1-yl)-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-hydroxy-3-(3-methylpiperidin-1-yl)-1H-indol-2-one?
The IUPAC name of 5-bromo-3-hydroxy-3-(3-methylpiperidin-1-yl)-1H-indol-2-one (CID 6420242) is 5-bromo-3-hydroxy-3-(3-methylpiperidin-1-yl)-1H-indol-2-one.
What is the SMILES notation for 5-bromo-3-hydroxy-3-(3-methylpiperidin-1-yl)-1H-indol-2-one?
The canonical SMILES for 5-bromo-3-hydroxy-3-(3-methylpiperidin-1-yl)-1H-indol-2-one is CC1CCCN(C2(O)C(=O)Nc3ccc(Br)cc32)C1.
What is the InChIKey of 5-bromo-3-hydroxy-3-(3-methylpiperidin-1-yl)-1H-indol-2-one?
The InChIKey is QKVONZJXQHGECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-9-3-2-6-17(8-9)14(19)11-7-10(15)4-5-12(11)16-13(14)18/h4-5,7,9,19H,2-3,6,8H2,1H3,(H,16,18).
What are the key properties of 5-bromo-3-hydroxy-3-(3-methylpiperidin-1-yl)-1H-indol-2-one?
5-bromo-3-hydroxy-3-(3-methylpiperidin-1-yl)-1H-indol-2-one has a molecular weight of 325.21 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-hydroxy-3-(3-methylpiperidin-1-yl)-1H-indol-2-one is sourced from PubChem (CID 6420242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).