1-[(2-methylphenyl)methyl]piperidine-2,4-dione

C13H15NO2 — CID 79515595

IUPAC1-[(2-methylphenyl)methyl]piperidine-2,4-dione
SMILESCc1ccccc1CN1CCC(=O)CC1=O
InChIInChI=1S/C13H15NO2/c1-10-4-2-3-5-11(10)9-14-7-6-12(15)8-13(14)16/h2-5H,6-9H2,1H3
InChIKeyWSTCCLHLPIUKRS-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.69
Rot. Bonds2

About 1-[(2-methylphenyl)methyl]piperidine-2,4-dione

1-[(2-methylphenyl)methyl]piperidine-2,4-dione (PubChem CID 79515595) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]piperidine-2,4-dione.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]piperidine-2,4-dione
PubChem CID79515595
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-[(2-methylphenyl)methyl]piperidine-2,4-dione
SMILESCc1ccccc1CN1CCC(=O)CC1=O
InChIInChI=1S/C13H15NO2/c1-10-4-2-3-5-11(10)9-14-7-6-12(15)8-13(14)16/h2-5H,6-9H2,1H3
InChIKeyWSTCCLHLPIUKRS-UHFFFAOYSA-N
XLogP1.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]piperidine-2,4-dione?
The IUPAC name of 1-[(2-methylphenyl)methyl]piperidine-2,4-dione (CID 79515595) is 1-[(2-methylphenyl)methyl]piperidine-2,4-dione.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]piperidine-2,4-dione?
The canonical SMILES for 1-[(2-methylphenyl)methyl]piperidine-2,4-dione is Cc1ccccc1CN1CCC(=O)CC1=O.
What is the InChIKey of 1-[(2-methylphenyl)methyl]piperidine-2,4-dione?
The InChIKey is WSTCCLHLPIUKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-10-4-2-3-5-11(10)9-14-7-6-12(15)8-13(14)16/h2-5H,6-9H2,1H3.
What are the key properties of 1-[(2-methylphenyl)methyl]piperidine-2,4-dione?
1-[(2-methylphenyl)methyl]piperidine-2,4-dione has a molecular weight of 217.27 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]piperidine-2,4-dione is sourced from PubChem (CID 79515595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).