5-bromo-3-ethyl-3-phenylpiperidine-2,6-dione

C13H14BrNO2 — CID 3043688

IUPAC5-bromo-3-ethyl-3-phenylpiperidine-2,6-dione
SMILESCCC1(c2ccccc2)CC(Br)C(=O)NC1=O
InChIInChI=1S/C13H14BrNO2/c1-2-13(9-6-4-3-5-7-9)8-10(14)11(16)15-12(13)17/h3-7,10H,2,8H2,1H3,(H,15,16,17)
InChIKeyDLLDWLFSFRVNHQ-UHFFFAOYSA-N
MW296.16 g/mol
LogP2.14
Rot. Bonds2

About 5-bromo-3-ethyl-3-phenylpiperidine-2,6-dione

5-bromo-3-ethyl-3-phenylpiperidine-2,6-dione (PubChem CID 3043688) has the molecular formula C13H14BrNO2 and a molecular weight of 296.16 g/mol. Its IUPAC name is 5-bromo-3-ethyl-3-phenylpiperidine-2,6-dione.

Molecular Properties

Compound Name5-bromo-3-ethyl-3-phenylpiperidine-2,6-dione
PubChem CID3043688
Molecular FormulaC13H14BrNO2
Molecular Weight296.16 g/mol
Exact Mass295.02
IUPAC Name5-bromo-3-ethyl-3-phenylpiperidine-2,6-dione
SMILESCCC1(c2ccccc2)CC(Br)C(=O)NC1=O
InChIInChI=1S/C13H14BrNO2/c1-2-13(9-6-4-3-5-7-9)8-10(14)11(16)15-12(13)17/h3-7,10H,2,8H2,1H3,(H,15,16,17)
InChIKeyDLLDWLFSFRVNHQ-UHFFFAOYSA-N
XLogP2.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-ethyl-3-phenylpiperidine-2,6-dione?
The IUPAC name of 5-bromo-3-ethyl-3-phenylpiperidine-2,6-dione (CID 3043688) is 5-bromo-3-ethyl-3-phenylpiperidine-2,6-dione.
What is the SMILES notation for 5-bromo-3-ethyl-3-phenylpiperidine-2,6-dione?
The canonical SMILES for 5-bromo-3-ethyl-3-phenylpiperidine-2,6-dione is CCC1(c2ccccc2)CC(Br)C(=O)NC1=O.
What is the InChIKey of 5-bromo-3-ethyl-3-phenylpiperidine-2,6-dione?
The InChIKey is DLLDWLFSFRVNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO2/c1-2-13(9-6-4-3-5-7-9)8-10(14)11(16)15-12(13)17/h3-7,10H,2,8H2,1H3,(H,15,16,17).
What are the key properties of 5-bromo-3-ethyl-3-phenylpiperidine-2,6-dione?
5-bromo-3-ethyl-3-phenylpiperidine-2,6-dione has a molecular weight of 296.16 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-ethyl-3-phenylpiperidine-2,6-dione is sourced from PubChem (CID 3043688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).