2-[(4-phenylmethoxypiperidin-1-yl)methyl]isoindole-1,3-dione

C21H22N2O3 — CID 17416201

IUPAC2-[(4-phenylmethoxypiperidin-1-yl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CN1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C21H22N2O3/c24-20-18-8-4-5-9-19(18)21(25)23(20)15-22-12-10-17(11-13-22)26-14-16-6-2-1-3-7-16/h1-9,17H,10-15H2
InChIKeyHZENEQVUPBLPQF-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.92
Rot. Bonds5

About 2-[(4-phenylmethoxypiperidin-1-yl)methyl]isoindole-1,3-dione

2-[(4-phenylmethoxypiperidin-1-yl)methyl]isoindole-1,3-dione (PubChem CID 17416201) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[(4-phenylmethoxypiperidin-1-yl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(4-phenylmethoxypiperidin-1-yl)methyl]isoindole-1,3-dione
PubChem CID17416201
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name2-[(4-phenylmethoxypiperidin-1-yl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CN1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C21H22N2O3/c24-20-18-8-4-5-9-19(18)21(25)23(20)15-22-12-10-17(11-13-22)26-14-16-6-2-1-3-7-16/h1-9,17H,10-15H2
InChIKeyHZENEQVUPBLPQF-UHFFFAOYSA-N
XLogP2.92
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(4-phenylmethoxypiperidin-1-yl)methyl]isoindole-1,3-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 2-[(4-phenylmethoxypiperidin-1-yl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(4-phenylmethoxypiperidin-1-yl)methyl]isoindole-1,3-dione (CID 17416201) is 2-[(4-phenylmethoxypiperidin-1-yl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(4-phenylmethoxypiperidin-1-yl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(4-phenylmethoxypiperidin-1-yl)methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CN1CCC(OCc2ccccc2)CC1.
What is the InChIKey of 2-[(4-phenylmethoxypiperidin-1-yl)methyl]isoindole-1,3-dione?
The InChIKey is HZENEQVUPBLPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c24-20-18-8-4-5-9-19(18)21(25)23(20)15-22-12-10-17(11-13-22)26-14-16-6-2-1-3-7-16/h1-9,17H,10-15H2.
What are the key properties of 2-[(4-phenylmethoxypiperidin-1-yl)methyl]isoindole-1,3-dione?
2-[(4-phenylmethoxypiperidin-1-yl)methyl]isoindole-1,3-dione has a molecular weight of 350.42 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylmethoxypiperidin-1-yl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 17416201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).