8-(pyridin-4-ylmethyl)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane

C20H25N3O2 — CID 118739786

IUPAC8-(pyridin-4-ylmethyl)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane
SMILESc1ccc(OCC2CC3(CCN(Cc4ccncc4)CC3)CO2)nc1
InChIInChI=1S/C20H25N3O2/c1-2-8-22-19(3-1)24-15-18-13-20(16-25-18)6-11-23(12-7-20)14-17-4-9-21-10-5-17/h1-5,8-10,18H,6-7,11-16H2
InChIKeyXRPVLVVMLNBRNY-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.93
Rot. Bonds5

About 8-(pyridin-4-ylmethyl)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane

8-(pyridin-4-ylmethyl)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane (PubChem CID 118739786) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 8-(pyridin-4-ylmethyl)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(pyridin-4-ylmethyl)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane
PubChem CID118739786
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name8-(pyridin-4-ylmethyl)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane
SMILESc1ccc(OCC2CC3(CCN(Cc4ccncc4)CC3)CO2)nc1
InChIInChI=1S/C20H25N3O2/c1-2-8-22-19(3-1)24-15-18-13-20(16-25-18)6-11-23(12-7-20)14-17-4-9-21-10-5-17/h1-5,8-10,18H,6-7,11-16H2
InChIKeyXRPVLVVMLNBRNY-UHFFFAOYSA-N
XLogP2.93
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(pyridin-4-ylmethyl)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(pyridin-4-ylmethyl)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane (CID 118739786) is 8-(pyridin-4-ylmethyl)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(pyridin-4-ylmethyl)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(pyridin-4-ylmethyl)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane is c1ccc(OCC2CC3(CCN(Cc4ccncc4)CC3)CO2)nc1.
What is the InChIKey of 8-(pyridin-4-ylmethyl)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is XRPVLVVMLNBRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-2-8-22-19(3-1)24-15-18-13-20(16-25-18)6-11-23(12-7-20)14-17-4-9-21-10-5-17/h1-5,8-10,18H,6-7,11-16H2.
What are the key properties of 8-(pyridin-4-ylmethyl)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane?
8-(pyridin-4-ylmethyl)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 339.44 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(pyridin-4-ylmethyl)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 118739786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).