1-[1-[2,4-dimethyl-4-[6-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]hex-2-ynoxy]pentan-2-yl]azetidin-3-yl]oxy-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine

C42H75N3O6 — CID 154957378

About 1-[1-[2,4-dimethyl-4-[6-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]hex-2-ynoxy]pentan-2-yl]azetidin-3-yl]oxy-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine

1-[1-[2,4-dimethyl-4-[6-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]hex-2-ynoxy]pentan-2-yl]azetidin-3-yl]oxy-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine (PubChem CID 154957378) has the molecular formula C42H75N3O6 and a molecular weight of 718.08 g/mol. Its IUPAC name is 1-[1-[2,4-dimethyl-4-[6-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]hex-2-ynoxy]pentan-2-yl]azetidin-3-yl]oxy-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine.

Molecular Properties

• Compound Name: 1-[1-[2,4-dimethyl-4-[6-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]hex-2-ynoxy]pentan-2-yl]azetidin-3-yl]oxy-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine
• PubChem CID: 154957378
• Molecular Formula: C42H75N3O6
• Molecular Weight: 718.08 g/mol
• Exact Mass: 717.57
• IUPAC Name: 1-[1-[2,4-dimethyl-4-[6-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]hex-2-ynoxy]pentan-2-yl]azetidin-3-yl]oxy-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine
• SMILES: CC(C)(C)OC1CC(OC2CCN(CCCC#CCOC(C)(C)CC(C)(C)N3CC(ON4CCC(OC5CC(OC(C)(C)C)C5)CC4)C3)CC2)C1
• InChI: InChI=1S/C42H75N3O6/c1-39(2,3)49-36-25-34(26-36)47-32-15-20-43(21-16-32)19-13-11-12-14-24-46-42(9,10)31-41(7,8)44-29-38(30-44)51-45-22-17-33(18-23-45)48-35-27-37(28-35)50-40(4,5)6/h32-38H,11,13,15-31H2,1-10H3
• InChIKey: MCTJOBOJZHLMGG-UHFFFAOYSA-N
• XLogP: 7.00
• TPSA: 65.10 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	718.08
LogP ≤ 5	7.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2,4-dimethyl-4-[6-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]hex-2-ynoxy]pentan-2-yl]azetidin-3-yl]oxy-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine?

The IUPAC name of 1-[1-[2,4-dimethyl-4-[6-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]hex-2-ynoxy]pentan-2-yl]azetidin-3-yl]oxy-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine (CID 154957378) is 1-[1-[2,4-dimethyl-4-[6-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]hex-2-ynoxy]pentan-2-yl]azetidin-3-yl]oxy-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine.

What is the SMILES notation for 1-[1-[2,4-dimethyl-4-[6-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]hex-2-ynoxy]pentan-2-yl]azetidin-3-yl]oxy-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine?

The canonical SMILES for 1-[1-[2,4-dimethyl-4-[6-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]hex-2-ynoxy]pentan-2-yl]azetidin-3-yl]oxy-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine is CC(C)(C)OC1CC(OC2CCN(CCCC#CCOC(C)(C)CC(C)(C)N3CC(ON4CCC(OC5CC(OC(C)(C)C)C5)CC4)C3)CC2)C1.

What is the InChIKey of 1-[1-[2,4-dimethyl-4-[6-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]hex-2-ynoxy]pentan-2-yl]azetidin-3-yl]oxy-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine?

The InChIKey is MCTJOBOJZHLMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H75N3O6/c1-39(2,3)49-36-25-34(26-36)47-32-15-20-43(21-16-32)19-13-11-12-14-24-46-42(9,10)31-41(7,8)44-29-38(30-44)51-45-22-17-33(18-23-45)48-35-27-37(28-35)50-40(4,5)6/h32-38H,11,13,15-31H2,1-10H3.

What are the key properties of 1-[1-[2,4-dimethyl-4-[6-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]hex-2-ynoxy]pentan-2-yl]azetidin-3-yl]oxy-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine?

1-[1-[2,4-dimethyl-4-[6-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]hex-2-ynoxy]pentan-2-yl]azetidin-3-yl]oxy-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine has a molecular weight of 718.08 g/mol, XLogP of 7.00, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[2,4-dimethyl-4-[6-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]hex-2-ynoxy]pentan-2-yl]azetidin-3-yl]oxy-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine is sourced from PubChem (CID 154957378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).