7-bromo-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-2,3-dione

C16H17BrN2O3 — CID 17447980

IUPAC7-bromo-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-2,3-dione
SMILESCC1CCN(C(=O)CN2C(=O)C(=O)c3cccc(Br)c32)CC1
InChIInChI=1S/C16H17BrN2O3/c1-10-5-7-18(8-6-10)13(20)9-19-14-11(15(21)16(19)22)3-2-4-12(14)17/h2-4,10H,5-9H2,1H3
InChIKeyNIKVYVGMCGCCIK-UHFFFAOYSA-N
MW365.23 g/mol
LogP2.24
Rot. Bonds2

About 7-bromo-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-2,3-dione

7-bromo-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-2,3-dione (PubChem CID 17447980) has the molecular formula C16H17BrN2O3 and a molecular weight of 365.23 g/mol. Its IUPAC name is 7-bromo-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-2,3-dione.

Molecular Properties

Compound Name7-bromo-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-2,3-dione
PubChem CID17447980
Molecular FormulaC16H17BrN2O3
Molecular Weight365.23 g/mol
Exact Mass364.04
IUPAC Name7-bromo-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-2,3-dione
SMILESCC1CCN(C(=O)CN2C(=O)C(=O)c3cccc(Br)c32)CC1
InChIInChI=1S/C16H17BrN2O3/c1-10-5-7-18(8-6-10)13(20)9-19-14-11(15(21)16(19)22)3-2-4-12(14)17/h2-4,10H,5-9H2,1H3
InChIKeyNIKVYVGMCGCCIK-UHFFFAOYSA-N
XLogP2.24
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 52.24
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-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-2,3-dione
CID 60711537
4-fluoro-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 113201614
2-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 110749728
7-bromo-1-(cyclopropylmethyl)indole-2,3-dione
CID 61356437
2-(7-bromo-2,3-dioxoindol-1-yl)-N-(cyclopropylmethyl)acetamide
CID 61356503
7-bromo-1-(2-methylidenebutyl)indole-2,3-dione
CID 66046443
2-(7-bromo-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide
CID 61356667
2-(2,6-dibromophenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 60594267
7-bromo-1-pentylindole-2,3-dione
CID 61356330
7-bromo-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]indole-2,3-dione
CID 62024759
7-bromo-1-(5-hydroxypentyl)indole-2,3-dione
CID 62226920
2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-nitroisoindole-1,3-dione
CID 2706933

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-2,3-dione?
The IUPAC name of 7-bromo-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-2,3-dione (CID 17447980) is 7-bromo-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-2,3-dione.
What is the SMILES notation for 7-bromo-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-2,3-dione?
The canonical SMILES for 7-bromo-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-2,3-dione is CC1CCN(C(=O)CN2C(=O)C(=O)c3cccc(Br)c32)CC1.
What is the InChIKey of 7-bromo-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-2,3-dione?
The InChIKey is NIKVYVGMCGCCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3/c1-10-5-7-18(8-6-10)13(20)9-19-14-11(15(21)16(19)22)3-2-4-12(14)17/h2-4,10H,5-9H2,1H3.
What are the key properties of 7-bromo-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-2,3-dione?
7-bromo-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-2,3-dione has a molecular weight of 365.23 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-2,3-dione is sourced from PubChem (CID 17447980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).