1-(3-amino-4-methoxyphenyl)piperidine-2,6-dione

C12H14N2O3 — CID 61351313

IUPAC1-(3-amino-4-methoxyphenyl)piperidine-2,6-dione
SMILESCOc1ccc(N2C(=O)CCCC2=O)cc1N
InChIInChI=1S/C12H14N2O3/c1-17-10-6-5-8(7-9(10)13)14-11(15)3-2-4-12(14)16/h5-7H,2-4,13H2,1H3
InChIKeyQWINAVIWNNHAHC-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.32
Rot. Bonds2

About 1-(3-amino-4-methoxyphenyl)piperidine-2,6-dione

1-(3-amino-4-methoxyphenyl)piperidine-2,6-dione (PubChem CID 61351313) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 1-(3-amino-4-methoxyphenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-(3-amino-4-methoxyphenyl)piperidine-2,6-dione
PubChem CID61351313
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name1-(3-amino-4-methoxyphenyl)piperidine-2,6-dione
SMILESCOc1ccc(N2C(=O)CCCC2=O)cc1N
InChIInChI=1S/C12H14N2O3/c1-17-10-6-5-8(7-9(10)13)14-11(15)3-2-4-12(14)16/h5-7H,2-4,13H2,1H3
InChIKeyQWINAVIWNNHAHC-UHFFFAOYSA-N
XLogP1.32
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-(3-amino-4-methoxyphenyl)piperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methoxyphenyl)piperidine-2,6-dione?
The IUPAC name of 1-(3-amino-4-methoxyphenyl)piperidine-2,6-dione (CID 61351313) is 1-(3-amino-4-methoxyphenyl)piperidine-2,6-dione.
What is the SMILES notation for 1-(3-amino-4-methoxyphenyl)piperidine-2,6-dione?
The canonical SMILES for 1-(3-amino-4-methoxyphenyl)piperidine-2,6-dione is COc1ccc(N2C(=O)CCCC2=O)cc1N.
What is the InChIKey of 1-(3-amino-4-methoxyphenyl)piperidine-2,6-dione?
The InChIKey is QWINAVIWNNHAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-17-10-6-5-8(7-9(10)13)14-11(15)3-2-4-12(14)16/h5-7H,2-4,13H2,1H3.
What are the key properties of 1-(3-amino-4-methoxyphenyl)piperidine-2,6-dione?
1-(3-amino-4-methoxyphenyl)piperidine-2,6-dione has a molecular weight of 234.25 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methoxyphenyl)piperidine-2,6-dione is sourced from PubChem (CID 61351313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).