3-[1-methoxy-5-[2-[3-(3-methylcyclobutyl)azetidin-1-yl]cyclohexyl]oxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione

C28H39N3O4 — CID 166470120

About 3-[1-methoxy-5-[2-[3-(3-methylcyclobutyl)azetidin-1-yl]cyclohexyl]oxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione

3-[1-methoxy-5-[2-[3-(3-methylcyclobutyl)azetidin-1-yl]cyclohexyl]oxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione (PubChem CID 166470120) has the molecular formula C28H39N3O4 and a molecular weight of 481.64 g/mol. Its IUPAC name is 3-[1-methoxy-5-[2-[3-(3-methylcyclobutyl)azetidin-1-yl]cyclohexyl]oxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[1-methoxy-5-[2-[3-(3-methylcyclobutyl)azetidin-1-yl]cyclohexyl]oxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 166470120
• Molecular Formula: C28H39N3O4
• Molecular Weight: 481.64 g/mol
• Exact Mass: 481.29
• IUPAC Name: 3-[1-methoxy-5-[2-[3-(3-methylcyclobutyl)azetidin-1-yl]cyclohexyl]oxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
• SMILES: COC1c2ccc(OC3CCCCC3N3CC(C4CC(C)C4)C3)cc2CN1C1CCC(=O)NC1=O
• InChI: InChI=1S/C28H39N3O4/c1-17-11-18(12-17)20-14-30(15-20)23-5-3-4-6-25(23)35-21-7-8-22-19(13-21)16-31(28(22)34-2)24-9-10-26(32)29-27(24)33/h7-8,13,17-18,20,23-25,28H,3-6,9-12,14-16H2,1-2H3,(H,29,32,33)
• InChIKey: FYTNZDACJSRYHD-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.64
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[1-methoxy-5-[2-[3-(3-methylcyclobutyl)azetidin-1-yl]cyclohexyl]oxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[1-methoxy-5-[2-[3-(3-methylcyclobutyl)azetidin-1-yl]cyclohexyl]oxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione (CID 166470120) is 3-[1-methoxy-5-[2-[3-(3-methylcyclobutyl)azetidin-1-yl]cyclohexyl]oxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[1-methoxy-5-[2-[3-(3-methylcyclobutyl)azetidin-1-yl]cyclohexyl]oxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[1-methoxy-5-[2-[3-(3-methylcyclobutyl)azetidin-1-yl]cyclohexyl]oxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione is COC1c2ccc(OC3CCCCC3N3CC(C4CC(C)C4)C3)cc2CN1C1CCC(=O)NC1=O.

What is the InChIKey of 3-[1-methoxy-5-[2-[3-(3-methylcyclobutyl)azetidin-1-yl]cyclohexyl]oxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?

The InChIKey is FYTNZDACJSRYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O4/c1-17-11-18(12-17)20-14-30(15-20)23-5-3-4-6-25(23)35-21-7-8-22-19(13-21)16-31(28(22)34-2)24-9-10-26(32)29-27(24)33/h7-8,13,17-18,20,23-25,28H,3-6,9-12,14-16H2,1-2H3,(H,29,32,33).

What are the key properties of 3-[1-methoxy-5-[2-[3-(3-methylcyclobutyl)azetidin-1-yl]cyclohexyl]oxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?

3-[1-methoxy-5-[2-[3-(3-methylcyclobutyl)azetidin-1-yl]cyclohexyl]oxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione has a molecular weight of 481.64 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-methoxy-5-[2-[3-(3-methylcyclobutyl)azetidin-1-yl]cyclohexyl]oxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 166470120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).