1-[(4-methoxyphenyl)methyl]piperidine-2,6-dione

C13H15NO3 — CID 66586994

IUPAC1-[(4-methoxyphenyl)methyl]piperidine-2,6-dione
SMILESCOc1ccc(CN2C(=O)CCCC2=O)cc1
InChIInChI=1S/C13H15NO3/c1-17-11-7-5-10(6-8-11)9-14-12(15)3-2-4-13(14)16/h5-8H,2-4,9H2,1H3
InChIKeyOIGPWDHSJVVQHY-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.73
Rot. Bonds3

About 1-[(4-methoxyphenyl)methyl]piperidine-2,6-dione

1-[(4-methoxyphenyl)methyl]piperidine-2,6-dione (PubChem CID 66586994) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]piperidine-2,6-dione
PubChem CID66586994
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name1-[(4-methoxyphenyl)methyl]piperidine-2,6-dione
SMILESCOc1ccc(CN2C(=O)CCCC2=O)cc1
InChIInChI=1S/C13H15NO3/c1-17-11-7-5-10(6-8-11)9-14-12(15)3-2-4-13(14)16/h5-8H,2-4,9H2,1H3
InChIKeyOIGPWDHSJVVQHY-UHFFFAOYSA-N
XLogP1.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(4-methoxyphenyl)methyl]piperidine-2,6-dione?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]piperidine-2,6-dione (CID 66586994) is 1-[(4-methoxyphenyl)methyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]piperidine-2,6-dione?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]piperidine-2,6-dione is COc1ccc(CN2C(=O)CCCC2=O)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]piperidine-2,6-dione?
The InChIKey is OIGPWDHSJVVQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-17-11-7-5-10(6-8-11)9-14-12(15)3-2-4-13(14)16/h5-8H,2-4,9H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]piperidine-2,6-dione?
1-[(4-methoxyphenyl)methyl]piperidine-2,6-dione has a molecular weight of 233.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]piperidine-2,6-dione is sourced from PubChem (CID 66586994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).