1-(3-methylphenyl)piperidine-2,6-dione

C12H13NO2 — CID 82076714

IUPAC1-(3-methylphenyl)piperidine-2,6-dione
SMILESCc1cccc(N2C(=O)CCCC2=O)c1
InChIInChI=1S/C12H13NO2/c1-9-4-2-5-10(8-9)13-11(14)6-3-7-12(13)15/h2,4-5,8H,3,6-7H2,1H3
InChIKeyHCNIWAWFXPZHII-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.04
Rot. Bonds1

About 1-(3-methylphenyl)piperidine-2,6-dione

1-(3-methylphenyl)piperidine-2,6-dione (PubChem CID 82076714) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-(3-methylphenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-(3-methylphenyl)piperidine-2,6-dione
PubChem CID82076714
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-(3-methylphenyl)piperidine-2,6-dione
SMILESCc1cccc(N2C(=O)CCCC2=O)c1
InChIInChI=1S/C12H13NO2/c1-9-4-2-5-10(8-9)13-11(14)6-3-7-12(13)15/h2,4-5,8H,3,6-7H2,1H3
InChIKeyHCNIWAWFXPZHII-UHFFFAOYSA-N
XLogP2.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.04
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-(3-methylphenyl)piperidine-2,6-dione?
The IUPAC name of 1-(3-methylphenyl)piperidine-2,6-dione (CID 82076714) is 1-(3-methylphenyl)piperidine-2,6-dione.
What is the SMILES notation for 1-(3-methylphenyl)piperidine-2,6-dione?
The canonical SMILES for 1-(3-methylphenyl)piperidine-2,6-dione is Cc1cccc(N2C(=O)CCCC2=O)c1.
What is the InChIKey of 1-(3-methylphenyl)piperidine-2,6-dione?
The InChIKey is HCNIWAWFXPZHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-9-4-2-5-10(8-9)13-11(14)6-3-7-12(13)15/h2,4-5,8H,3,6-7H2,1H3.
What are the key properties of 1-(3-methylphenyl)piperidine-2,6-dione?
1-(3-methylphenyl)piperidine-2,6-dione has a molecular weight of 203.24 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)piperidine-2,6-dione is sourced from PubChem (CID 82076714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).