3-(5-bromo-3,3-dimethyl-2-oxoindol-1-yl)-1-[(4-methoxyphenyl)methyl]piperidine-2,6-dione

C23H23BrN2O4 — CID 177301914

IUPAC3-(5-bromo-3,3-dimethyl-2-oxoindol-1-yl)-1-[(4-methoxyphenyl)methyl]piperidine-2,6-dione
SMILESCOc1ccc(CN2C(=O)CCC(N3C(=O)C(C)(C)c4cc(Br)ccc43)C2=O)cc1
InChIInChI=1S/C23H23BrN2O4/c1-23(2)17-12-15(24)6-9-18(17)26(22(23)29)19-10-11-20(27)25(21(19)28)13-14-4-7-16(30-3)8-5-14/h4-9,12,19H,10-11,13H2,1-3H3
InChIKeyKMJMETQFZNACPR-UHFFFAOYSA-N
MW471.35 g/mol
LogP3.80
Rot. Bonds4

About 3-(5-bromo-3,3-dimethyl-2-oxoindol-1-yl)-1-[(4-methoxyphenyl)methyl]piperidine-2,6-dione

3-(5-bromo-3,3-dimethyl-2-oxoindol-1-yl)-1-[(4-methoxyphenyl)methyl]piperidine-2,6-dione (PubChem CID 177301914) has the molecular formula C23H23BrN2O4 and a molecular weight of 471.35 g/mol. Its IUPAC name is 3-(5-bromo-3,3-dimethyl-2-oxoindol-1-yl)-1-[(4-methoxyphenyl)methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-(5-bromo-3,3-dimethyl-2-oxoindol-1-yl)-1-[(4-methoxyphenyl)methyl]piperidine-2,6-dione
PubChem CID177301914
Molecular FormulaC23H23BrN2O4
Molecular Weight471.35 g/mol
Exact Mass470.08
IUPAC Name3-(5-bromo-3,3-dimethyl-2-oxoindol-1-yl)-1-[(4-methoxyphenyl)methyl]piperidine-2,6-dione
SMILESCOc1ccc(CN2C(=O)CCC(N3C(=O)C(C)(C)c4cc(Br)ccc43)C2=O)cc1
InChIInChI=1S/C23H23BrN2O4/c1-23(2)17-12-15(24)6-9-18(17)26(22(23)29)19-10-11-20(27)25(21(19)28)13-14-4-7-16(30-3)8-5-14/h4-9,12,19H,10-11,13H2,1-3H3
InChIKeyKMJMETQFZNACPR-UHFFFAOYSA-N
XLogP3.80
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.35
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3,3-dimethyl-2-oxoindol-1-yl)-1-[(4-methoxyphenyl)methyl]piperidine-2,6-dione?
The IUPAC name of 3-(5-bromo-3,3-dimethyl-2-oxoindol-1-yl)-1-[(4-methoxyphenyl)methyl]piperidine-2,6-dione (CID 177301914) is 3-(5-bromo-3,3-dimethyl-2-oxoindol-1-yl)-1-[(4-methoxyphenyl)methyl]piperidine-2,6-dione.
What is the SMILES notation for 3-(5-bromo-3,3-dimethyl-2-oxoindol-1-yl)-1-[(4-methoxyphenyl)methyl]piperidine-2,6-dione?
The canonical SMILES for 3-(5-bromo-3,3-dimethyl-2-oxoindol-1-yl)-1-[(4-methoxyphenyl)methyl]piperidine-2,6-dione is COc1ccc(CN2C(=O)CCC(N3C(=O)C(C)(C)c4cc(Br)ccc43)C2=O)cc1.
What is the InChIKey of 3-(5-bromo-3,3-dimethyl-2-oxoindol-1-yl)-1-[(4-methoxyphenyl)methyl]piperidine-2,6-dione?
The InChIKey is KMJMETQFZNACPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2O4/c1-23(2)17-12-15(24)6-9-18(17)26(22(23)29)19-10-11-20(27)25(21(19)28)13-14-4-7-16(30-3)8-5-14/h4-9,12,19H,10-11,13H2,1-3H3.
What are the key properties of 3-(5-bromo-3,3-dimethyl-2-oxoindol-1-yl)-1-[(4-methoxyphenyl)methyl]piperidine-2,6-dione?
3-(5-bromo-3,3-dimethyl-2-oxoindol-1-yl)-1-[(4-methoxyphenyl)methyl]piperidine-2,6-dione has a molecular weight of 471.35 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-3,3-dimethyl-2-oxoindol-1-yl)-1-[(4-methoxyphenyl)methyl]piperidine-2,6-dione is sourced from PubChem (CID 177301914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).