(3S)-3-(4-methylphenyl)piperidine-2,6-dione

C12H13NO2 — CID 94766924

IUPAC(3S)-3-(4-methylphenyl)piperidine-2,6-dione
SMILESCc1ccc([C@@H]2CCC(=O)NC2=O)cc1
InChIInChI=1S/C12H13NO2/c1-8-2-4-9(5-3-8)10-6-7-11(14)13-12(10)15/h2-5,10H,6-7H2,1H3,(H,13,14,15)/t10-/m0/s1
InChIKeyRUIRKYJVQVAVGV-JTQLQIEISA-N
MW203.24 g/mol
LogP1.52
Rot. Bonds1

About (3S)-3-(4-methylphenyl)piperidine-2,6-dione

(3S)-3-(4-methylphenyl)piperidine-2,6-dione (PubChem CID 94766924) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (3S)-3-(4-methylphenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name(3S)-3-(4-methylphenyl)piperidine-2,6-dione
PubChem CID94766924
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(3S)-3-(4-methylphenyl)piperidine-2,6-dione
SMILESCc1ccc([C@@H]2CCC(=O)NC2=O)cc1
InChIInChI=1S/C12H13NO2/c1-8-2-4-9(5-3-8)10-6-7-11(14)13-12(10)15/h2-5,10H,6-7H2,1H3,(H,13,14,15)/t10-/m0/s1
InChIKeyRUIRKYJVQVAVGV-JTQLQIEISA-N
XLogP1.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.52
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 (3S)-3-(4-methylphenyl)piperidine-2,6-dione?
The IUPAC name of (3S)-3-(4-methylphenyl)piperidine-2,6-dione (CID 94766924) is (3S)-3-(4-methylphenyl)piperidine-2,6-dione.
What is the SMILES notation for (3S)-3-(4-methylphenyl)piperidine-2,6-dione?
The canonical SMILES for (3S)-3-(4-methylphenyl)piperidine-2,6-dione is Cc1ccc([C@@H]2CCC(=O)NC2=O)cc1.
What is the InChIKey of (3S)-3-(4-methylphenyl)piperidine-2,6-dione?
The InChIKey is RUIRKYJVQVAVGV-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13NO2/c1-8-2-4-9(5-3-8)10-6-7-11(14)13-12(10)15/h2-5,10H,6-7H2,1H3,(H,13,14,15)/t10-/m0/s1.
What are the key properties of (3S)-3-(4-methylphenyl)piperidine-2,6-dione?
(3S)-3-(4-methylphenyl)piperidine-2,6-dione has a molecular weight of 203.24 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-methylphenyl)piperidine-2,6-dione is sourced from PubChem (CID 94766924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).