1-benzylpiperidine-2,6-dione

C12H13NO2 — CID 13156566

IUPAC1-benzylpiperidine-2,6-dione
SMILESO=C1CCCC(=O)N1Cc1ccccc1
InChIInChI=1S/C12H13NO2/c14-11-7-4-8-12(15)13(11)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChIKeyRBEFUDUPGFNSIZ-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.73
Rot. Bonds2

About 1-benzylpiperidine-2,6-dione

1-benzylpiperidine-2,6-dione (PubChem CID 13156566) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-benzylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-benzylpiperidine-2,6-dione
PubChem CID13156566
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-benzylpiperidine-2,6-dione
SMILESO=C1CCCC(=O)N1Cc1ccccc1
InChIInChI=1S/C12H13NO2/c14-11-7-4-8-12(15)13(11)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChIKeyRBEFUDUPGFNSIZ-UHFFFAOYSA-N
XLogP1.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.73
H-Bond Donors ≤ 50
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 1-benzylpiperidine-2,6-dione?
The IUPAC name of 1-benzylpiperidine-2,6-dione (CID 13156566) is 1-benzylpiperidine-2,6-dione.
What is the SMILES notation for 1-benzylpiperidine-2,6-dione?
The canonical SMILES for 1-benzylpiperidine-2,6-dione is O=C1CCCC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzylpiperidine-2,6-dione?
The InChIKey is RBEFUDUPGFNSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c14-11-7-4-8-12(15)13(11)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2.
What are the key properties of 1-benzylpiperidine-2,6-dione?
1-benzylpiperidine-2,6-dione has a molecular weight of 203.24 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylpiperidine-2,6-dione is sourced from PubChem (CID 13156566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).