2-[4-(1-tert-butylpiperidin-4-yl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine

C26H40N2O3 — CID 134488920

IUPAC2-[4-(1-tert-butylpiperidin-4-yl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine
SMILESCC(C)(C)OC1CC(Oc2ccc(C#CCCOC3CCN(C(C)(C)C)CC3)nc2)C1
InChIInChI=1S/C26H40N2O3/c1-25(2,3)28-14-12-21(13-15-28)29-16-8-7-9-20-10-11-22(19-27-20)30-23-17-24(18-23)31-26(4,5)6/h10-11,19,21,23-24H,8,12-18H2,1-6H3
InChIKeyMFEPFZRJEOSCNC-UHFFFAOYSA-N
MW428.62 g/mol
LogP4.83
Rot. Bonds6

About 2-[4-(1-tert-butylpiperidin-4-yl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine

2-[4-(1-tert-butylpiperidin-4-yl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine (PubChem CID 134488920) has the molecular formula C26H40N2O3 and a molecular weight of 428.62 g/mol. Its IUPAC name is 2-[4-(1-tert-butylpiperidin-4-yl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine.

Molecular Properties

Compound Name2-[4-(1-tert-butylpiperidin-4-yl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine
PubChem CID134488920
Molecular FormulaC26H40N2O3
Molecular Weight428.62 g/mol
Exact Mass428.30
IUPAC Name2-[4-(1-tert-butylpiperidin-4-yl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine
SMILESCC(C)(C)OC1CC(Oc2ccc(C#CCCOC3CCN(C(C)(C)C)CC3)nc2)C1
InChIInChI=1S/C26H40N2O3/c1-25(2,3)28-14-12-21(13-15-28)29-16-8-7-9-20-10-11-22(19-27-20)30-23-17-24(18-23)31-26(4,5)6/h10-11,19,21,23-24H,8,12-18H2,1-6H3
InChIKeyMFEPFZRJEOSCNC-UHFFFAOYSA-N
XLogP4.83
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.62
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-tert-butylpiperidin-4-yl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine?
The IUPAC name of 2-[4-(1-tert-butylpiperidin-4-yl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine (CID 134488920) is 2-[4-(1-tert-butylpiperidin-4-yl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine.
What is the SMILES notation for 2-[4-(1-tert-butylpiperidin-4-yl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine?
The canonical SMILES for 2-[4-(1-tert-butylpiperidin-4-yl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine is CC(C)(C)OC1CC(Oc2ccc(C#CCCOC3CCN(C(C)(C)C)CC3)nc2)C1.
What is the InChIKey of 2-[4-(1-tert-butylpiperidin-4-yl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine?
The InChIKey is MFEPFZRJEOSCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2O3/c1-25(2,3)28-14-12-21(13-15-28)29-16-8-7-9-20-10-11-22(19-27-20)30-23-17-24(18-23)31-26(4,5)6/h10-11,19,21,23-24H,8,12-18H2,1-6H3.
What are the key properties of 2-[4-(1-tert-butylpiperidin-4-yl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine?
2-[4-(1-tert-butylpiperidin-4-yl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine has a molecular weight of 428.62 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-tert-butylpiperidin-4-yl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine is sourced from PubChem (CID 134488920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).