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

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Related Compounds

5-bromo-3-hydroxy-3-phenyl-1,3-dihydro-2H-indol-2-one
CID 4256987
5-bromo-3-(4-fluorophenyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 5297654
5-bromo-3-hydroxy-2,3-dihydro-1H-indol-2-one
CID 2804937
(2S)-N-(4-bromophenyl)-1-[(2S)-2-hydroxy-2-phenylpropanoyl]pyrrolidine-2-carboxamide
CID 71727744
3-hydroxy-3-(3-methylpiperidin-1-yl)-7-(trifluoromethyl)-1,3-dihydro-2H-indol-2-one
CID 22332436
5-Bromo-1,3-dihydro-3-hydroxy-3-(2-oxopropyl)-2H-indol-2-one
CID 53471
dimethyl (5-bromo-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)phosphonate
CID 2881930
5-bromo-3-hydroxy-3-(4-methyl-1-piperidinyl)-1H-indol-2-one
CID 2895217
diisopropyl (5-bromo-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)phosphonate
CID 2897685
7-bromo-3-hydroxy-5-methyl-3-(2-methylpiperidin-1-yl)-1H-indol-2-one
CID 2922852
6-bromo-N-[2-(dimethylamino)ethyl]-3-(4-ethylphenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
CID 4057812
3-Hydroxy-7-methyl-3-(3-methyl-piperidin-1-yl)-1,3-dihydro-indol-2-one
CID 3163240

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).