5-bromo-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-indole-2,3-dione

C15H17BrN2O3 — CID 106836223

IUPAC5-bromo-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-indole-2,3-dione
SMILESCC(O)C1CCN(c2cc3c(cc2Br)C(=O)C(=O)N3)CC1
InChIInChI=1S/C15H17BrN2O3/c1-8(19)9-2-4-18(5-3-9)13-7-12-10(6-11(13)16)14(20)15(21)17-12/h6-9,19H,2-5H2,1H3,(H,17,20,21)
InChIKeyWWSCRMFBJBNTNM-UHFFFAOYSA-N
MW353.22 g/mol
LogP2.18
Rot. Bonds2

About 5-bromo-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-indole-2,3-dione

5-bromo-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-indole-2,3-dione (PubChem CID 106836223) has the molecular formula C15H17BrN2O3 and a molecular weight of 353.22 g/mol. Its IUPAC name is 5-bromo-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-bromo-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-indole-2,3-dione
PubChem CID106836223
Molecular FormulaC15H17BrN2O3
Molecular Weight353.22 g/mol
Exact Mass352.04
IUPAC Name5-bromo-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-indole-2,3-dione
SMILESCC(O)C1CCN(c2cc3c(cc2Br)C(=O)C(=O)N3)CC1
InChIInChI=1S/C15H17BrN2O3/c1-8(19)9-2-4-18(5-3-9)13-7-12-10(6-11(13)16)14(20)15(21)17-12/h6-9,19H,2-5H2,1H3,(H,17,20,21)
InChIKeyWWSCRMFBJBNTNM-UHFFFAOYSA-N
XLogP2.18
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-bromo-6-(4-ethylazepan-1-yl)-1H-indole-2,3-dione
CID 79343459
5-fluoro-6-(4-propan-2-ylpiperidin-1-yl)-1H-indole-2,3-dione
CID 103496641
5-bromo-6-(3,4-dimethylpyrrolidin-1-yl)-1H-indole-2,3-dione
CID 79336319
5-bromo-6-(4-hydroxy-4-methylazepan-1-yl)-1H-indole-2,3-dione
CID 107404952
5-bromo-6-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-indole-2,3-dione
CID 103356460
5-bromo-6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-(methylamino)-1,3-dihydroindol-2-one
CID 115965447
5-bromo-6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1H-indole-2,3-dione
CID 81452606
5-bromo-6-(3-oxo-1,4-diazepan-1-yl)-1H-indole-2,3-dione
CID 79335904
5-fluoro-3-hydroxy-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dihydroindol-2-one
CID 106836471
5-bromo-6-(2,2-dimethyl-3-oxopiperazin-1-yl)-1H-indole-2,3-dione
CID 79343448
7-amino-6-[4-(1-hydroxyethyl)piperidin-1-yl]-4H-1,4-benzoxazin-3-one
CID 106835369
5-fluoro-6-(4-propan-2-ylpiperazin-1-yl)-1H-indole-2,3-dione
CID 80729747

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-indole-2,3-dione?
The IUPAC name of 5-bromo-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-indole-2,3-dione (CID 106836223) is 5-bromo-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-indole-2,3-dione.
What is the SMILES notation for 5-bromo-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-indole-2,3-dione?
The canonical SMILES for 5-bromo-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-indole-2,3-dione is CC(O)C1CCN(c2cc3c(cc2Br)C(=O)C(=O)N3)CC1.
What is the InChIKey of 5-bromo-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-indole-2,3-dione?
The InChIKey is WWSCRMFBJBNTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O3/c1-8(19)9-2-4-18(5-3-9)13-7-12-10(6-11(13)16)14(20)15(21)17-12/h6-9,19H,2-5H2,1H3,(H,17,20,21).
What are the key properties of 5-bromo-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-indole-2,3-dione?
5-bromo-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-indole-2,3-dione has a molecular weight of 353.22 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-indole-2,3-dione is sourced from PubChem (CID 106836223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).