3-benzylpiperidine-2,6-dione

C12H13NO2 — CID 14531158

IUPAC3-benzylpiperidine-2,6-dione
SMILESO=C1CCC(Cc2ccccc2)C(=O)N1
InChIInChI=1S/C12H13NO2/c14-11-7-6-10(12(15)13-11)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,14,15)
InChIKeyYMEUOMXAEBYIPR-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.28
Rot. Bonds2

About 3-benzylpiperidine-2,6-dione

3-benzylpiperidine-2,6-dione (PubChem CID 14531158) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-benzylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-benzylpiperidine-2,6-dione
PubChem CID14531158
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name3-benzylpiperidine-2,6-dione
SMILESO=C1CCC(Cc2ccccc2)C(=O)N1
InChIInChI=1S/C12H13NO2/c14-11-7-6-10(12(15)13-11)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,14,15)
InChIKeyYMEUOMXAEBYIPR-UHFFFAOYSA-N
XLogP1.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.28
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-benzylpiperidine-2,6-dione?
The IUPAC name of 3-benzylpiperidine-2,6-dione (CID 14531158) is 3-benzylpiperidine-2,6-dione.
What is the SMILES notation for 3-benzylpiperidine-2,6-dione?
The canonical SMILES for 3-benzylpiperidine-2,6-dione is O=C1CCC(Cc2ccccc2)C(=O)N1.
What is the InChIKey of 3-benzylpiperidine-2,6-dione?
The InChIKey is YMEUOMXAEBYIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c14-11-7-6-10(12(15)13-11)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,14,15).
What are the key properties of 3-benzylpiperidine-2,6-dione?
3-benzylpiperidine-2,6-dione has a molecular weight of 203.24 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylpiperidine-2,6-dione is sourced from PubChem (CID 14531158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).