3-[6-[[1-(4-methoxy-3-phenylmethoxybenzoyl)piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C34H35N3O7 — CID 156500654

About 3-[6-[[1-(4-methoxy-3-phenylmethoxybenzoyl)piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[[1-(4-methoxy-3-phenylmethoxybenzoyl)piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 156500654) has the molecular formula C34H35N3O7 and a molecular weight of 597.67 g/mol. Its IUPAC name is 3-[6-[[1-(4-methoxy-3-phenylmethoxybenzoyl)piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[6-[[1-(4-methoxy-3-phenylmethoxybenzoyl)piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 156500654
• Molecular Formula: C34H35N3O7
• Molecular Weight: 597.67 g/mol
• Exact Mass: 597.25
• IUPAC Name: 3-[6-[[1-(4-methoxy-3-phenylmethoxybenzoyl)piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: COc1ccc(C(=O)N2CCCCC2COc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cc1OCc1ccccc1
• InChI: InChI=1S/C34H35N3O7/c1-42-29-14-10-23(18-30(29)44-20-22-7-3-2-4-8-22)33(40)36-16-6-5-9-25(36)21-43-26-11-12-27-24(17-26)19-37(34(27)41)28-13-15-31(38)35-32(28)39/h2-4,7-8,10-12,14,17-18,25,28H,5-6,9,13,15-16,19-21H2,1H3,(H,35,38,39)
• InChIKey: BWEHBYOFSZDODI-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 114.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	597.67
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[1-(4-methoxy-3-phenylmethoxybenzoyl)piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[6-[[1-(4-methoxy-3-phenylmethoxybenzoyl)piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 156500654) is 3-[6-[[1-(4-methoxy-3-phenylmethoxybenzoyl)piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[6-[[1-(4-methoxy-3-phenylmethoxybenzoyl)piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[6-[[1-(4-methoxy-3-phenylmethoxybenzoyl)piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is COc1ccc(C(=O)N2CCCCC2COc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cc1OCc1ccccc1.

What is the InChIKey of 3-[6-[[1-(4-methoxy-3-phenylmethoxybenzoyl)piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is BWEHBYOFSZDODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N3O7/c1-42-29-14-10-23(18-30(29)44-20-22-7-3-2-4-8-22)33(40)36-16-6-5-9-25(36)21-43-26-11-12-27-24(17-26)19-37(34(27)41)28-13-15-31(38)35-32(28)39/h2-4,7-8,10-12,14,17-18,25,28H,5-6,9,13,15-16,19-21H2,1H3,(H,35,38,39).

What are the key properties of 3-[6-[[1-(4-methoxy-3-phenylmethoxybenzoyl)piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[6-[[1-(4-methoxy-3-phenylmethoxybenzoyl)piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 597.67 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[[1-(4-methoxy-3-phenylmethoxybenzoyl)piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 156500654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).