2-(1H-indol-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane

C21H23N3O2 — CID 131641308

IUPAC2-(1H-indol-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
SMILESc1ccc(OCC2CCOC23CN(Cc2cccc4[nH]ccc24)C3)nc1
InChIInChI=1S/C21H23N3O2/c1-2-9-23-20(6-1)25-13-17-8-11-26-21(17)14-24(15-21)12-16-4-3-5-19-18(16)7-10-22-19/h1-7,9-10,17,22H,8,11-15H2
InChIKeyHUUUTZYLAOWKCA-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.23
Rot. Bonds5

About 2-(1H-indol-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane

2-(1H-indol-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane (PubChem CID 131641308) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-(1H-indol-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name2-(1H-indol-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
PubChem CID131641308
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-(1H-indol-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
SMILESc1ccc(OCC2CCOC23CN(Cc2cccc4[nH]ccc24)C3)nc1
InChIInChI=1S/C21H23N3O2/c1-2-9-23-20(6-1)25-13-17-8-11-26-21(17)14-24(15-21)12-16-4-3-5-19-18(16)7-10-22-19/h1-7,9-10,17,22H,8,11-15H2
InChIKeyHUUUTZYLAOWKCA-UHFFFAOYSA-N
XLogP3.23
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of 2-(1H-indol-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane (CID 131641308) is 2-(1H-indol-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for 2-(1H-indol-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for 2-(1H-indol-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane is c1ccc(OCC2CCOC23CN(Cc2cccc4[nH]ccc24)C3)nc1.
What is the InChIKey of 2-(1H-indol-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is HUUUTZYLAOWKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-2-9-23-20(6-1)25-13-17-8-11-26-21(17)14-24(15-21)12-16-4-3-5-19-18(16)7-10-22-19/h1-7,9-10,17,22H,8,11-15H2.
What are the key properties of 2-(1H-indol-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane?
2-(1H-indol-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 349.43 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 131641308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).