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

C20H30N2O3 — CID 118739584

IUPAC8-(oxan-4-ylmethyl)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane
SMILESc1ccc(OCC2CC3(CCN(CC4CCOCC4)CC3)CO2)nc1
InChIInChI=1S/C20H30N2O3/c1-2-8-21-19(3-1)24-15-18-13-20(16-25-18)6-9-22(10-7-20)14-17-4-11-23-12-5-17/h1-3,8,17-18H,4-7,9-16H2
InChIKeyPTRGIPGXJXOCRI-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.76
Rot. Bonds5

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

8-(oxan-4-ylmethyl)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane (PubChem CID 118739584) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 8-(oxan-4-ylmethyl)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(oxan-4-ylmethyl)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane
PubChem CID118739584
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name8-(oxan-4-ylmethyl)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane
SMILESc1ccc(OCC2CC3(CCN(CC4CCOCC4)CC3)CO2)nc1
InChIInChI=1S/C20H30N2O3/c1-2-8-21-19(3-1)24-15-18-13-20(16-25-18)6-9-22(10-7-20)14-17-4-11-23-12-5-17/h1-3,8,17-18H,4-7,9-16H2
InChIKeyPTRGIPGXJXOCRI-UHFFFAOYSA-N
XLogP2.76
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(oxan-4-ylmethyl)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(oxan-4-ylmethyl)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane (CID 118739584) is 8-(oxan-4-ylmethyl)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(oxan-4-ylmethyl)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(oxan-4-ylmethyl)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane is c1ccc(OCC2CC3(CCN(CC4CCOCC4)CC3)CO2)nc1.
What is the InChIKey of 8-(oxan-4-ylmethyl)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is PTRGIPGXJXOCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-2-8-21-19(3-1)24-15-18-13-20(16-25-18)6-9-22(10-7-20)14-17-4-11-23-12-5-17/h1-3,8,17-18H,4-7,9-16H2.
What are the key properties of 8-(oxan-4-ylmethyl)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane?
8-(oxan-4-ylmethyl)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 346.47 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(oxan-4-ylmethyl)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 118739584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).