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

C15H19BrN2O2 — CID 2922852

IUPAC7-bromo-3-hydroxy-5-methyl-3-(2-methylpiperidin-1-yl)-1H-indol-2-one
SMILESCc1cc(Br)c2c(c1)C(O)(N1CCCCC1C)C(=O)N2
InChIInChI=1S/C15H19BrN2O2/c1-9-7-11-13(12(16)8-9)17-14(19)15(11,20)18-6-4-3-5-10(18)2/h7-8,10,20H,3-6H2,1-2H3,(H,17,19)
InChIKeyJOHVBSNOQSCAAQ-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.73
Rot. Bonds1

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

7-bromo-3-hydroxy-5-methyl-3-(2-methylpiperidin-1-yl)-1H-indol-2-one (PubChem CID 2922852) 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-(2-methylpiperidin-1-yl)-1H-indol-2-one.

Molecular Properties

Compound Name7-bromo-3-hydroxy-5-methyl-3-(2-methylpiperidin-1-yl)-1H-indol-2-one
PubChem CID2922852
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name7-bromo-3-hydroxy-5-methyl-3-(2-methylpiperidin-1-yl)-1H-indol-2-one
SMILESCc1cc(Br)c2c(c1)C(O)(N1CCCCC1C)C(=O)N2
InChIInChI=1S/C15H19BrN2O2/c1-9-7-11-13(12(16)8-9)17-14(19)15(11,20)18-6-4-3-5-10(18)2/h7-8,10,20H,3-6H2,1-2H3,(H,17,19)
InChIKeyJOHVBSNOQSCAAQ-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-3-(3-methylpiperidin-1-yl)-7-(trifluoromethyl)-1,3-dihydro-2H-indol-2-one
CID 22332436
Indol-2-one, 5-bromo-3-hydroxy-3-(3-methylpiperidin-1-yl)-1,3-dihydro-
CID 6420242
5-bromo-3-hydroxy-3-(4-methyl-1-piperidinyl)-1H-indol-2-one
CID 2895217
3-Hydroxy-7-methyl-3-(3-methyl-piperidin-1-yl)-1,3-dihydro-indol-2-one
CID 3163240
7-ethyl-3-hydroxy-3-(3-methylpiperidin-1-yl)-1H-indol-2-one
CID 3163241
5,7-dibromo-3-hydroxy-3-morpholin-4-yl-1,3-dihydro-2H-indol-2-one
CID 3240746
3-(5-bromo-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 3098380
3-[benzyl(methyl)amino]-5-bromo-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 2995346
3-hydroxy-5,7-dimethyl-3-(3-methylpiperidin-1-yl)-1,3-dihydro-2H-indol-2-one
CID 3163242
5-bromo-3-hydroxy-7-methyl-3-morpholin-4-yl-1H-indol-2-one
CID 3424936
5-bromo-3-hydroxy-1-methyl-3-(3-methylpiperidin-1-yl)-1,3-dihydro-2H-indol-2-one
CID 22332431
7-bromo-3-hydroxy-5-methyl-3-(3-methylpiperidin-1-yl)-1,3-dihydro-2H-indol-2-one
CID 22332429

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-hydroxy-5-methyl-3-(2-methylpiperidin-1-yl)-1H-indol-2-one?
The IUPAC name of 7-bromo-3-hydroxy-5-methyl-3-(2-methylpiperidin-1-yl)-1H-indol-2-one (CID 2922852) is 7-bromo-3-hydroxy-5-methyl-3-(2-methylpiperidin-1-yl)-1H-indol-2-one.
What is the SMILES notation for 7-bromo-3-hydroxy-5-methyl-3-(2-methylpiperidin-1-yl)-1H-indol-2-one?
The canonical SMILES for 7-bromo-3-hydroxy-5-methyl-3-(2-methylpiperidin-1-yl)-1H-indol-2-one is Cc1cc(Br)c2c(c1)C(O)(N1CCCCC1C)C(=O)N2.
What is the InChIKey of 7-bromo-3-hydroxy-5-methyl-3-(2-methylpiperidin-1-yl)-1H-indol-2-one?
The InChIKey is JOHVBSNOQSCAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-9-7-11-13(12(16)8-9)17-14(19)15(11,20)18-6-4-3-5-10(18)2/h7-8,10,20H,3-6H2,1-2H3,(H,17,19).
What are the key properties of 7-bromo-3-hydroxy-5-methyl-3-(2-methylpiperidin-1-yl)-1H-indol-2-one?
7-bromo-3-hydroxy-5-methyl-3-(2-methylpiperidin-1-yl)-1H-indol-2-one has a molecular weight of 339.23 g/mol, XLogP of 2.73, 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-(2-methylpiperidin-1-yl)-1H-indol-2-one is sourced from PubChem (CID 2922852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).