6-bromo-1-[2-(1-methylpiperidin-2-yl)ethyl]indole-2,3-dione

C16H19BrN2O2 — CID 107912778

IUPAC6-bromo-1-[2-(1-methylpiperidin-2-yl)ethyl]indole-2,3-dione
SMILESCN1CCCCC1CCN1C(=O)C(=O)c2ccc(Br)cc21
InChIInChI=1S/C16H19BrN2O2/c1-18-8-3-2-4-12(18)7-9-19-14-10-11(17)5-6-13(14)15(20)16(19)21/h5-6,10,12H,2-4,7-9H2,1H3
InChIKeySMOYNDLSURTHCS-UHFFFAOYSA-N
MW351.24 g/mol
LogP2.85
Rot. Bonds3

About 6-bromo-1-[2-(1-methylpiperidin-2-yl)ethyl]indole-2,3-dione

6-bromo-1-[2-(1-methylpiperidin-2-yl)ethyl]indole-2,3-dione (PubChem CID 107912778) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 6-bromo-1-[2-(1-methylpiperidin-2-yl)ethyl]indole-2,3-dione.

Molecular Properties

Compound Name6-bromo-1-[2-(1-methylpiperidin-2-yl)ethyl]indole-2,3-dione
PubChem CID107912778
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name6-bromo-1-[2-(1-methylpiperidin-2-yl)ethyl]indole-2,3-dione
SMILESCN1CCCCC1CCN1C(=O)C(=O)c2ccc(Br)cc21
InChIInChI=1S/C16H19BrN2O2/c1-18-8-3-2-4-12(18)7-9-19-14-10-11(17)5-6-13(14)15(20)16(19)21/h5-6,10,12H,2-4,7-9H2,1H3
InChIKeySMOYNDLSURTHCS-UHFFFAOYSA-N
XLogP2.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]indole-2,3-dione
CID 107912779
6-bromo-1-(cyclobutylmethyl)indole-2,3-dione
CID 65459439
6-bromo-1-(4-methylpentyl)indole-2,3-dione
CID 83158009
2-(6-bromo-2,3-dioxoindol-1-yl)-N-cyclopentylacetamide
CID 29299798
6-bromo-1-(2-tert-butylsulfonylethyl)indole-2,3-dione
CID 106726046
4-bromo-2-[2-(1-methylpiperidin-2-yl)ethylsulfonyl]aniline
CID 107914496
4-(6-bromo-2,3-dioxoindol-1-yl)butanoic acid
CID 18072187
6-bromo-1-but-2-ynylindole-2,3-dione
CID 62309363
6-amino-4-[2-(1-methylpiperidin-2-yl)ethyl]-1,4-benzoxazin-3-one
CID 107912116
6-fluoro-4-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-1,4-benzoxazin-3-one
CID 97206499
2,4-dibromo-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 63427545
6-bromo-1-methylindole-2,3-dione;ethane
CID 144701236

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[2-(1-methylpiperidin-2-yl)ethyl]indole-2,3-dione?
The IUPAC name of 6-bromo-1-[2-(1-methylpiperidin-2-yl)ethyl]indole-2,3-dione (CID 107912778) is 6-bromo-1-[2-(1-methylpiperidin-2-yl)ethyl]indole-2,3-dione.
What is the SMILES notation for 6-bromo-1-[2-(1-methylpiperidin-2-yl)ethyl]indole-2,3-dione?
The canonical SMILES for 6-bromo-1-[2-(1-methylpiperidin-2-yl)ethyl]indole-2,3-dione is CN1CCCCC1CCN1C(=O)C(=O)c2ccc(Br)cc21.
What is the InChIKey of 6-bromo-1-[2-(1-methylpiperidin-2-yl)ethyl]indole-2,3-dione?
The InChIKey is SMOYNDLSURTHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-18-8-3-2-4-12(18)7-9-19-14-10-11(17)5-6-13(14)15(20)16(19)21/h5-6,10,12H,2-4,7-9H2,1H3.
What are the key properties of 6-bromo-1-[2-(1-methylpiperidin-2-yl)ethyl]indole-2,3-dione?
6-bromo-1-[2-(1-methylpiperidin-2-yl)ethyl]indole-2,3-dione has a molecular weight of 351.24 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[2-(1-methylpiperidin-2-yl)ethyl]indole-2,3-dione is sourced from PubChem (CID 107912778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).