(3R)-5,7-dibromo-3-hydroxy-3-(4-methylpiperidin-1-yl)-1H-indol-2-one

C14H16Br2N2O2 — CID 7708052

IUPAC(3R)-5,7-dibromo-3-hydroxy-3-(4-methylpiperidin-1-yl)-1H-indol-2-one
SMILESCC1CCN([C@]2(O)C(=O)Nc3c(Br)cc(Br)cc32)CC1
InChIInChI=1S/C14H16Br2N2O2/c1-8-2-4-18(5-3-8)14(20)10-6-9(15)7-11(16)12(10)17-13(14)19/h6-8,20H,2-5H2,1H3,(H,17,19)/t14-/m1/s1
InChIKeyALSNQBPHHRTIKN-CQSZACIVSA-N
MW404.10 g/mol
LogP3.04
Rot. Bonds1

About (3R)-5,7-dibromo-3-hydroxy-3-(4-methylpiperidin-1-yl)-1H-indol-2-one

(3R)-5,7-dibromo-3-hydroxy-3-(4-methylpiperidin-1-yl)-1H-indol-2-one (PubChem CID 7708052) has the molecular formula C14H16Br2N2O2 and a molecular weight of 404.10 g/mol. Its IUPAC name is (3R)-5,7-dibromo-3-hydroxy-3-(4-methylpiperidin-1-yl)-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-5,7-dibromo-3-hydroxy-3-(4-methylpiperidin-1-yl)-1H-indol-2-one
PubChem CID7708052
Molecular FormulaC14H16Br2N2O2
Molecular Weight404.10 g/mol
Exact Mass401.96
IUPAC Name(3R)-5,7-dibromo-3-hydroxy-3-(4-methylpiperidin-1-yl)-1H-indol-2-one
SMILESCC1CCN([C@]2(O)C(=O)Nc3c(Br)cc(Br)cc32)CC1
InChIInChI=1S/C14H16Br2N2O2/c1-8-2-4-18(5-3-8)14(20)10-6-9(15)7-11(16)12(10)17-13(14)19/h6-8,20H,2-5H2,1H3,(H,17,19)/t14-/m1/s1
InChIKeyALSNQBPHHRTIKN-CQSZACIVSA-N
XLogP3.04
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.10
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-5,7-dibromo-3-hydroxy-3-morpholin-4-yl-1H-indol-2-one
CID 7234389
(3S,3'S,4'R)-5,7-dibromo-1'-methyl-3'-nitro-4'-(trifluoromethyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 132550169
[2,5-dibromo-4-(4-methylpiperidine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 30478701
5-bromo-3-hydroxy-7-methyl-3-(2-oxopropyl)-1H-indol-2-one
CID 52983472
(3-bromo-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 110407354
7-bromo-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one
CID 103863094
3-(2-bromo-6-ethyl-4-methylphenyl)-3-chloro-8-methyl-4-oxido-1,4-diazaspiro[4.5]decan-2-one
CID 163822782
5,7-dibromo-3-pyrrol-1-yl-1,3-dihydroindol-2-one
CID 102276841
3-bromo-4-(4-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 22748535
6,8-dibromo-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 624103
5,7-dibromo-3,3-difluoro-1,2-dihydroindole
CID 10979905
1-[2-(3-bromo-5-fluorophenyl)ethyl]-4-methylpiperidine
CID 171396188

Frequently Asked Questions

What is the IUPAC name of (3R)-5,7-dibromo-3-hydroxy-3-(4-methylpiperidin-1-yl)-1H-indol-2-one?
The IUPAC name of (3R)-5,7-dibromo-3-hydroxy-3-(4-methylpiperidin-1-yl)-1H-indol-2-one (CID 7708052) is (3R)-5,7-dibromo-3-hydroxy-3-(4-methylpiperidin-1-yl)-1H-indol-2-one.
What is the SMILES notation for (3R)-5,7-dibromo-3-hydroxy-3-(4-methylpiperidin-1-yl)-1H-indol-2-one?
The canonical SMILES for (3R)-5,7-dibromo-3-hydroxy-3-(4-methylpiperidin-1-yl)-1H-indol-2-one is CC1CCN([C@]2(O)C(=O)Nc3c(Br)cc(Br)cc32)CC1.
What is the InChIKey of (3R)-5,7-dibromo-3-hydroxy-3-(4-methylpiperidin-1-yl)-1H-indol-2-one?
The InChIKey is ALSNQBPHHRTIKN-CQSZACIVSA-N. The full InChI is InChI=1S/C14H16Br2N2O2/c1-8-2-4-18(5-3-8)14(20)10-6-9(15)7-11(16)12(10)17-13(14)19/h6-8,20H,2-5H2,1H3,(H,17,19)/t14-/m1/s1.
What are the key properties of (3R)-5,7-dibromo-3-hydroxy-3-(4-methylpiperidin-1-yl)-1H-indol-2-one?
(3R)-5,7-dibromo-3-hydroxy-3-(4-methylpiperidin-1-yl)-1H-indol-2-one has a molecular weight of 404.10 g/mol, XLogP of 3.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5,7-dibromo-3-hydroxy-3-(4-methylpiperidin-1-yl)-1H-indol-2-one is sourced from PubChem (CID 7708052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).