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

C24H42N4O2 — CID 146339805

IUPAC1-ethyl-4-[4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine
SMILESCCN1CCC(n2cnc(CN3CCC(OC4CC(OC(C)(C)C)C4)CC3)c2)CC1
InChIInChI=1S/C24H42N4O2/c1-5-26-10-6-20(7-11-26)28-17-19(25-18-28)16-27-12-8-21(9-13-27)29-22-14-23(15-22)30-24(2,3)4/h17-18,20-23H,5-16H2,1-4H3
InChIKeyOQPVTEGGJUHXAF-UHFFFAOYSA-N
MW418.63 g/mol
LogP3.87
Rot. Bonds7

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

1-ethyl-4-[4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine (PubChem CID 146339805) has the molecular formula C24H42N4O2 and a molecular weight of 418.63 g/mol. Its IUPAC name is 1-ethyl-4-[4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine.

Molecular Properties

Compound Name1-ethyl-4-[4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine
PubChem CID146339805
Molecular FormulaC24H42N4O2
Molecular Weight418.63 g/mol
Exact Mass418.33
IUPAC Name1-ethyl-4-[4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine
SMILESCCN1CCC(n2cnc(CN3CCC(OC4CC(OC(C)(C)C)C4)CC3)c2)CC1
InChIInChI=1S/C24H42N4O2/c1-5-26-10-6-20(7-11-26)28-17-19(25-18-28)16-27-12-8-21(9-13-27)29-22-14-23(15-22)30-24(2,3)4/h17-18,20-23H,5-16H2,1-4H3
InChIKeyOQPVTEGGJUHXAF-UHFFFAOYSA-N
XLogP3.87
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.63
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine?
The IUPAC name of 1-ethyl-4-[4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine (CID 146339805) is 1-ethyl-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-ethyl-4-[4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine?
The canonical SMILES for 1-ethyl-4-[4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine is CCN1CCC(n2cnc(CN3CCC(OC4CC(OC(C)(C)C)C4)CC3)c2)CC1.
What is the InChIKey of 1-ethyl-4-[4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine?
The InChIKey is OQPVTEGGJUHXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N4O2/c1-5-26-10-6-20(7-11-26)28-17-19(25-18-28)16-27-12-8-21(9-13-27)29-22-14-23(15-22)30-24(2,3)4/h17-18,20-23H,5-16H2,1-4H3.
What are the key properties of 1-ethyl-4-[4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine?
1-ethyl-4-[4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine has a molecular weight of 418.63 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine is sourced from PubChem (CID 146339805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).