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

C27H48N4O2 — CID 146339804

IUPAC1-tert-butyl-4-[4-[[4-[3-(2-methylbutan-2-yloxy)cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine
SMILESCCC(C)(C)OC1CC(OC2CCN(Cc3cn(C4CCN(C(C)(C)C)CC4)cn3)CC2)C1
InChIInChI=1S/C27H48N4O2/c1-7-27(5,6)33-25-16-24(17-25)32-23-10-12-29(13-11-23)18-21-19-30(20-28-21)22-8-14-31(15-9-22)26(2,3)4/h19-20,22-25H,7-18H2,1-6H3
InChIKeyFBYGPGNLTUAXDH-UHFFFAOYSA-N
MW460.71 g/mol
LogP5.04
Rot. Bonds8

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

1-tert-butyl-4-[4-[[4-[3-(2-methylbutan-2-yloxy)cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine (PubChem CID 146339804) has the molecular formula C27H48N4O2 and a molecular weight of 460.71 g/mol. Its IUPAC name is 1-tert-butyl-4-[4-[[4-[3-(2-methylbutan-2-yloxy)cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-[4-[[4-[3-(2-methylbutan-2-yloxy)cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine
PubChem CID146339804
Molecular FormulaC27H48N4O2
Molecular Weight460.71 g/mol
Exact Mass460.38
IUPAC Name1-tert-butyl-4-[4-[[4-[3-(2-methylbutan-2-yloxy)cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine
SMILESCCC(C)(C)OC1CC(OC2CCN(Cc3cn(C4CCN(C(C)(C)C)CC4)cn3)CC2)C1
InChIInChI=1S/C27H48N4O2/c1-7-27(5,6)33-25-16-24(17-25)32-23-10-12-29(13-11-23)18-21-19-30(20-28-21)22-8-14-31(15-9-22)26(2,3)4/h19-20,22-25H,7-18H2,1-6H3
InChIKeyFBYGPGNLTUAXDH-UHFFFAOYSA-N
XLogP5.04
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.71
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[4-[[4-[3-(2-methylbutan-2-yloxy)cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine?
The IUPAC name of 1-tert-butyl-4-[4-[[4-[3-(2-methylbutan-2-yloxy)cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine (CID 146339804) is 1-tert-butyl-4-[4-[[4-[3-(2-methylbutan-2-yloxy)cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine.
What is the SMILES notation for 1-tert-butyl-4-[4-[[4-[3-(2-methylbutan-2-yloxy)cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine?
The canonical SMILES for 1-tert-butyl-4-[4-[[4-[3-(2-methylbutan-2-yloxy)cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine is CCC(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-methylbutan-2-yloxy)cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine?
The InChIKey is FBYGPGNLTUAXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48N4O2/c1-7-27(5,6)33-25-16-24(17-25)32-23-10-12-29(13-11-23)18-21-19-30(20-28-21)22-8-14-31(15-9-22)26(2,3)4/h19-20,22-25H,7-18H2,1-6H3.
What are the key properties of 1-tert-butyl-4-[4-[[4-[3-(2-methylbutan-2-yloxy)cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine?
1-tert-butyl-4-[4-[[4-[3-(2-methylbutan-2-yloxy)cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine has a molecular weight of 460.71 g/mol, XLogP of 5.04, 8 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-methylbutan-2-yloxy)cyclobutyl]oxypiperidin-1-yl]methyl]imidazol-1-yl]piperidine is sourced from PubChem (CID 146339804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).