1-[(3-amino-4-methoxyphenyl)methyl]-4-methylpiperidine-2,6-dione

C14H18N2O3 — CID 62932933

IUPAC1-[(3-amino-4-methoxyphenyl)methyl]-4-methylpiperidine-2,6-dione
SMILESCOc1ccc(CN2C(=O)CC(C)CC2=O)cc1N
InChIInChI=1S/C14H18N2O3/c1-9-5-13(17)16(14(18)6-9)8-10-3-4-12(19-2)11(15)7-10/h3-4,7,9H,5-6,8,15H2,1-2H3
InChIKeyFZGVBYSHKDQFAM-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.56
Rot. Bonds3

About 1-[(3-amino-4-methoxyphenyl)methyl]-4-methylpiperidine-2,6-dione

1-[(3-amino-4-methoxyphenyl)methyl]-4-methylpiperidine-2,6-dione (PubChem CID 62932933) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[(3-amino-4-methoxyphenyl)methyl]-4-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[(3-amino-4-methoxyphenyl)methyl]-4-methylpiperidine-2,6-dione
PubChem CID62932933
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-[(3-amino-4-methoxyphenyl)methyl]-4-methylpiperidine-2,6-dione
SMILESCOc1ccc(CN2C(=O)CC(C)CC2=O)cc1N
InChIInChI=1S/C14H18N2O3/c1-9-5-13(17)16(14(18)6-9)8-10-3-4-12(19-2)11(15)7-10/h3-4,7,9H,5-6,8,15H2,1-2H3
InChIKeyFZGVBYSHKDQFAM-UHFFFAOYSA-N
XLogP1.56
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.56
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)methyl]-4-methylpiperidine-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)methyl]-4-methylpiperidine-2,6-dione?
The IUPAC name of 1-[(3-amino-4-methoxyphenyl)methyl]-4-methylpiperidine-2,6-dione (CID 62932933) is 1-[(3-amino-4-methoxyphenyl)methyl]-4-methylpiperidine-2,6-dione.
What is the SMILES notation for 1-[(3-amino-4-methoxyphenyl)methyl]-4-methylpiperidine-2,6-dione?
The canonical SMILES for 1-[(3-amino-4-methoxyphenyl)methyl]-4-methylpiperidine-2,6-dione is COc1ccc(CN2C(=O)CC(C)CC2=O)cc1N.
What is the InChIKey of 1-[(3-amino-4-methoxyphenyl)methyl]-4-methylpiperidine-2,6-dione?
The InChIKey is FZGVBYSHKDQFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-5-13(17)16(14(18)6-9)8-10-3-4-12(19-2)11(15)7-10/h3-4,7,9H,5-6,8,15H2,1-2H3.
What are the key properties of 1-[(3-amino-4-methoxyphenyl)methyl]-4-methylpiperidine-2,6-dione?
1-[(3-amino-4-methoxyphenyl)methyl]-4-methylpiperidine-2,6-dione has a molecular weight of 262.31 g/mol, XLogP of 1.56, 3 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)methyl]-4-methylpiperidine-2,6-dione is sourced from PubChem (CID 62932933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).