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

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

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Related Compounds

(8R)-2-(1H-indol-4-ylmethyl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124812614
2-(1H-indol-4-ylmethyl)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)
CID 155856058
(8S)-2-(oxan-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124893412
(8R)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124911905
(8S)-2-methylsulfonyl-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124781639
(8R)-2-(6-methoxypyrimidin-4-yl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124795040
2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)
CID 155863812
2-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)
CID 155861543
1,3-oxazol-4-yl-[(8R)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124794656
(4S,5S)-4-(pyridin-2-yloxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane
CID 124807188
1-[2-(1H-indol-4-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]-N,N-dimethylmethanamine
CID 131648468
9-(1H-indol-4-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 134804424

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).