1-tert-butyl-4-[4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine

C26H46N4O2 — CID 153320478

About 1-tert-butyl-4-[4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine

1-tert-butyl-4-[4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine (PubChem CID 153320478) has the molecular formula C26H46N4O2 and a molecular weight of 446.68 g/mol. Its IUPAC name is 1-tert-butyl-4-[4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine.

Molecular Properties

• Compound Name: 1-tert-butyl-4-[4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine
• PubChem CID: 153320478
• Molecular Formula: C26H46N4O2
• Molecular Weight: 446.68 g/mol
• Exact Mass: 446.36
• IUPAC Name: 1-tert-butyl-4-[4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine
• SMILES: CC(C)(C)OC1CC(OC2CCN(Cc3cn(C4CCN(C(C)(C)C)CC4)cn3)CC2)C1
• InChI: InChI=1S/C26H46N4O2/c1-25(2,3)30-13-7-21(8-14-30)29-18-20(27-19-29)17-28-11-9-22(10-12-28)31-23-15-24(16-23)32-26(4,5)6/h18-19,21-24H,7-17H2,1-6H3
• InChIKey: KQQHCVYZJAWVGO-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 42.76 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.68
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine?

The IUPAC name of 1-tert-butyl-4-[4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine (CID 153320478) is 1-tert-butyl-4-[4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine.

What is the SMILES notation for 1-tert-butyl-4-[4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine?

The canonical SMILES for 1-tert-butyl-4-[4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine is CC(C)(C)OC1CC(OC2CCN(Cc3cn(C4CCN(C(C)(C)C)CC4)cn3)CC2)C1.

What is the InChIKey of 1-tert-butyl-4-[4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine?

The InChIKey is KQQHCVYZJAWVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46N4O2/c1-25(2,3)30-13-7-21(8-14-30)29-18-20(27-19-29)17-28-11-9-22(10-12-28)31-23-15-24(16-23)32-26(4,5)6/h18-19,21-24H,7-17H2,1-6H3.

What are the key properties of 1-tert-butyl-4-[4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine?

1-tert-butyl-4-[4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine has a molecular weight of 446.68 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-4-[4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine is sourced from PubChem (CID 153320478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).