(8R)-2-(1H-indol-4-ylmethyl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane

C22H30N2O3 — CID 124812614

IUPAC(8R)-2-(1H-indol-4-ylmethyl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
SMILESc1cc(CN2CC3(C2)OCC[C@@H]3COCC2CCOCC2)c2cc[nH]c2c1
InChIInChI=1S/C22H30N2O3/c1-2-18(20-4-8-23-21(20)3-1)12-24-15-22(16-24)19(7-11-27-22)14-26-13-17-5-9-25-10-6-17/h1-4,8,17,19,23H,5-7,9-16H2/t19-/m1/s1
InChIKeyGKRIZEOVXDVCEX-LJQANCHMSA-N
MW370.49 g/mol
LogP3.20
Rot. Bonds6

About (8R)-2-(1H-indol-4-ylmethyl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane

(8R)-2-(1H-indol-4-ylmethyl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane (PubChem CID 124812614) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is (8R)-2-(1H-indol-4-ylmethyl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name(8R)-2-(1H-indol-4-ylmethyl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
PubChem CID124812614
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name(8R)-2-(1H-indol-4-ylmethyl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
SMILESc1cc(CN2CC3(C2)OCC[C@@H]3COCC2CCOCC2)c2cc[nH]c2c1
InChIInChI=1S/C22H30N2O3/c1-2-18(20-4-8-23-21(20)3-1)12-24-15-22(16-24)19(7-11-27-22)14-26-13-17-5-9-25-10-6-17/h1-4,8,17,19,23H,5-7,9-16H2/t19-/m1/s1
InChIKeyGKRIZEOVXDVCEX-LJQANCHMSA-N
XLogP3.20
TPSA46.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-(1H-indol-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 131641308
2-(1H-indol-4-ylmethyl)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)
CID 155856058
(8R)-2-(oxan-4-yl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124789276
1-[2-(1H-indol-4-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]-N,N-dimethylmethanamine
CID 131648468
(8S)-2-[(3-methoxyphenyl)methyl]-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane
CID 124796778
2-[(3-methoxyphenyl)methyl]-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane
CID 131658782
9-(1H-indol-4-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 134804424
(8R)-2-(1H-indol-4-ylmethyl)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane
CID 124817158
2-(5-fluoropyrimidin-2-yl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 131658300
(8S)-2-[(2-methoxyphenyl)methyl]-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124817074
2-[(2-methylphenyl)methyl]-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 131653736
1-[8-(cyclopropylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-(2-methylphenyl)ethanone
CID 131649671

Frequently Asked Questions

What is the IUPAC name of (8R)-2-(1H-indol-4-ylmethyl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of (8R)-2-(1H-indol-4-ylmethyl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane (CID 124812614) is (8R)-2-(1H-indol-4-ylmethyl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for (8R)-2-(1H-indol-4-ylmethyl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for (8R)-2-(1H-indol-4-ylmethyl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane is c1cc(CN2CC3(C2)OCC[C@@H]3COCC2CCOCC2)c2cc[nH]c2c1.
What is the InChIKey of (8R)-2-(1H-indol-4-ylmethyl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is GKRIZEOVXDVCEX-LJQANCHMSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-2-18(20-4-8-23-21(20)3-1)12-24-15-22(16-24)19(7-11-27-22)14-26-13-17-5-9-25-10-6-17/h1-4,8,17,19,23H,5-7,9-16H2/t19-/m1/s1.
What are the key properties of (8R)-2-(1H-indol-4-ylmethyl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane?
(8R)-2-(1H-indol-4-ylmethyl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 370.49 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-2-(1H-indol-4-ylmethyl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 124812614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).