4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]-2-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-5-(trifluoromethyl)pyridine

C26H37F3N2O3 — CID 134492640

IUPAC4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]-2-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-5-(trifluoromethyl)pyridine
SMILESCC(C)(C)OCC#Cc1cc(N2CCC(OC3CC(OC(C)(C)C)C3)CC2)c(C(F)(F)F)cn1
InChIInChI=1S/C26H37F3N2O3/c1-24(2,3)32-13-7-8-18-14-23(22(17-30-18)26(27,28)29)31-11-9-19(10-12-31)33-20-15-21(16-20)34-25(4,5)6/h14,17,19-21H,9-13,15-16H2,1-6H3
InChIKeyVSAIFNRAIDCGNS-UHFFFAOYSA-N
MW482.59 g/mol
LogP5.60
Rot. Bonds5

About 4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]-2-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-5-(trifluoromethyl)pyridine

4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]-2-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-5-(trifluoromethyl)pyridine (PubChem CID 134492640) has the molecular formula C26H37F3N2O3 and a molecular weight of 482.59 g/mol. Its IUPAC name is 4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]-2-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]-2-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-5-(trifluoromethyl)pyridine
PubChem CID134492640
Molecular FormulaC26H37F3N2O3
Molecular Weight482.59 g/mol
Exact Mass482.28
IUPAC Name4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]-2-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-5-(trifluoromethyl)pyridine
SMILESCC(C)(C)OCC#Cc1cc(N2CCC(OC3CC(OC(C)(C)C)C3)CC2)c(C(F)(F)F)cn1
InChIInChI=1S/C26H37F3N2O3/c1-24(2,3)32-13-7-8-18-14-23(22(17-30-18)26(27,28)29)31-11-9-19(10-12-31)33-20-15-21(16-20)34-25(4,5)6/h14,17,19-21H,9-13,15-16H2,1-6H3
InChIKeyVSAIFNRAIDCGNS-UHFFFAOYSA-N
XLogP5.60
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.59
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]-2-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]-2-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-5-(trifluoromethyl)pyridine (CID 134492640) is 4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]-2-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]-2-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]-2-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-5-(trifluoromethyl)pyridine is CC(C)(C)OCC#Cc1cc(N2CCC(OC3CC(OC(C)(C)C)C3)CC2)c(C(F)(F)F)cn1.
What is the InChIKey of 4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]-2-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-5-(trifluoromethyl)pyridine?
The InChIKey is VSAIFNRAIDCGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37F3N2O3/c1-24(2,3)32-13-7-8-18-14-23(22(17-30-18)26(27,28)29)31-11-9-19(10-12-31)33-20-15-21(16-20)34-25(4,5)6/h14,17,19-21H,9-13,15-16H2,1-6H3.
What are the key properties of 4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]-2-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-5-(trifluoromethyl)pyridine?
4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]-2-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-5-(trifluoromethyl)pyridine has a molecular weight of 482.59 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]-2-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 134492640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).