9-[6-(3-methylphenoxy)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecane

C20H25N3O2 — CID 145044534

IUPAC9-[6-(3-methylphenoxy)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCc1cccc(Oc2cccc(N3CCC4(CC3)CNCCO4)n2)c1
InChIInChI=1S/C20H25N3O2/c1-16-4-2-5-17(14-16)25-19-7-3-6-18(22-19)23-11-8-20(9-12-23)15-21-10-13-24-20/h2-7,14,21H,8-13,15H2,1H3
InChIKeyCKGNWZUBYXLEGB-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.14
Rot. Bonds3

About 9-[6-(3-methylphenoxy)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecane

9-[6-(3-methylphenoxy)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 145044534) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 9-[6-(3-methylphenoxy)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-[6-(3-methylphenoxy)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID145044534
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name9-[6-(3-methylphenoxy)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCc1cccc(Oc2cccc(N3CCC4(CC3)CNCCO4)n2)c1
InChIInChI=1S/C20H25N3O2/c1-16-4-2-5-17(14-16)25-19-7-3-6-18(22-19)23-11-8-20(9-12-23)15-21-10-13-24-20/h2-7,14,21H,8-13,15H2,1H3
InChIKeyCKGNWZUBYXLEGB-UHFFFAOYSA-N
XLogP3.14
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[6-(3-methylphenoxy)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-[6-(3-methylphenoxy)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecane (CID 145044534) is 9-[6-(3-methylphenoxy)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-[6-(3-methylphenoxy)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-[6-(3-methylphenoxy)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecane is Cc1cccc(Oc2cccc(N3CCC4(CC3)CNCCO4)n2)c1.
What is the InChIKey of 9-[6-(3-methylphenoxy)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is CKGNWZUBYXLEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-16-4-2-5-17(14-16)25-19-7-3-6-18(22-19)23-11-8-20(9-12-23)15-21-10-13-24-20/h2-7,14,21H,8-13,15H2,1H3.
What are the key properties of 9-[6-(3-methylphenoxy)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecane?
9-[6-(3-methylphenoxy)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 339.44 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(3-methylphenoxy)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 145044534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).