3-[6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-7-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C26H27N3O4 — CID 154680665

IUPAC3-[6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-7-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCOc1c(C2=CCN(Cc3ccccc3)CC2)ccc2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C26H27N3O4/c1-33-24-19(18-11-13-28(14-12-18)15-17-5-3-2-4-6-17)7-8-20-21(24)16-29(26(20)32)22-9-10-23(30)27-25(22)31/h2-8,11,22H,9-10,12-16H2,1H3,(H,27,30,31)
InChIKeyUWLYVHNWABASRB-UHFFFAOYSA-N
MW445.52 g/mol
LogP2.75
Rot. Bonds5

About 3-[6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-7-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-7-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 154680665) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is 3-[6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-7-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-7-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID154680665
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Name3-[6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-7-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCOc1c(C2=CCN(Cc3ccccc3)CC2)ccc2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C26H27N3O4/c1-33-24-19(18-11-13-28(14-12-18)15-17-5-3-2-4-6-17)7-8-20-21(24)16-29(26(20)32)22-9-10-23(30)27-25(22)31/h2-8,11,22H,9-10,12-16H2,1H3,(H,27,30,31)
InChIKeyUWLYVHNWABASRB-UHFFFAOYSA-N
XLogP2.75
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-7-methoxy-3-oxo-1H-isoindol-2-yl]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 3-[6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-7-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-7-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 154680665) is 3-[6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-7-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-7-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-7-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is COc1c(C2=CCN(Cc3ccccc3)CC2)ccc2c1CN(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 3-[6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-7-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is UWLYVHNWABASRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-33-24-19(18-11-13-28(14-12-18)15-17-5-3-2-4-6-17)7-8-20-21(24)16-29(26(20)32)22-9-10-23(30)27-25(22)31/h2-8,11,22H,9-10,12-16H2,1H3,(H,27,30,31).
What are the key properties of 3-[6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-7-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-7-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 445.52 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-7-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 154680665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).