3-(3-bromophenyl)-4-cyclopentylpiperidine-2,6-dione

C16H18BrNO2 — CID 79431517

IUPAC3-(3-bromophenyl)-4-cyclopentylpiperidine-2,6-dione
SMILESO=C1CC(C2CCCC2)C(c2cccc(Br)c2)C(=O)N1
InChIInChI=1S/C16H18BrNO2/c17-12-7-3-6-11(8-12)15-13(10-4-1-2-5-10)9-14(19)18-16(15)20/h3,6-8,10,13,15H,1-2,4-5,9H2,(H,18,19,20)
InChIKeyIXULYMQQVIEKMJ-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.39
Rot. Bonds2

About 3-(3-bromophenyl)-4-cyclopentylpiperidine-2,6-dione

3-(3-bromophenyl)-4-cyclopentylpiperidine-2,6-dione (PubChem CID 79431517) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 3-(3-bromophenyl)-4-cyclopentylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-bromophenyl)-4-cyclopentylpiperidine-2,6-dione
PubChem CID79431517
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name3-(3-bromophenyl)-4-cyclopentylpiperidine-2,6-dione
SMILESO=C1CC(C2CCCC2)C(c2cccc(Br)c2)C(=O)N1
InChIInChI=1S/C16H18BrNO2/c17-12-7-3-6-11(8-12)15-13(10-4-1-2-5-10)9-14(19)18-16(15)20/h3,6-8,10,13,15H,1-2,4-5,9H2,(H,18,19,20)
InChIKeyIXULYMQQVIEKMJ-UHFFFAOYSA-N
XLogP3.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-bromophenyl)-4-cyclopentylpiperidine-2,6-dione?
The IUPAC name of 3-(3-bromophenyl)-4-cyclopentylpiperidine-2,6-dione (CID 79431517) is 3-(3-bromophenyl)-4-cyclopentylpiperidine-2,6-dione.
What is the SMILES notation for 3-(3-bromophenyl)-4-cyclopentylpiperidine-2,6-dione?
The canonical SMILES for 3-(3-bromophenyl)-4-cyclopentylpiperidine-2,6-dione is O=C1CC(C2CCCC2)C(c2cccc(Br)c2)C(=O)N1.
What is the InChIKey of 3-(3-bromophenyl)-4-cyclopentylpiperidine-2,6-dione?
The InChIKey is IXULYMQQVIEKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c17-12-7-3-6-11(8-12)15-13(10-4-1-2-5-10)9-14(19)18-16(15)20/h3,6-8,10,13,15H,1-2,4-5,9H2,(H,18,19,20).
What are the key properties of 3-(3-bromophenyl)-4-cyclopentylpiperidine-2,6-dione?
3-(3-bromophenyl)-4-cyclopentylpiperidine-2,6-dione has a molecular weight of 336.23 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-4-cyclopentylpiperidine-2,6-dione is sourced from PubChem (CID 79431517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).