(8R)-2-(1,3-benzodioxol-5-ylmethyl)-8-(2-methoxyethyl)-5-oxa-2-azaspiro[3.5]nonane

C18H25NO4 — CID 124789023

IUPAC(8R)-2-(1,3-benzodioxol-5-ylmethyl)-8-(2-methoxyethyl)-5-oxa-2-azaspiro[3.5]nonane
SMILESCOCC[C@@H]1CCOC2(C1)CN(Cc1ccc3c(c1)OCO3)C2
InChIInChI=1S/C18H25NO4/c1-20-6-4-14-5-7-23-18(9-14)11-19(12-18)10-15-2-3-16-17(8-15)22-13-21-16/h2-3,8,14H,4-7,9-13H2,1H3/t14-/m1/s1
InChIKeyBTYMHNOPFLWWJV-CQSZACIVSA-N
MW319.40 g/mol
LogP2.43
Rot. Bonds5

About (8R)-2-(1,3-benzodioxol-5-ylmethyl)-8-(2-methoxyethyl)-5-oxa-2-azaspiro[3.5]nonane

(8R)-2-(1,3-benzodioxol-5-ylmethyl)-8-(2-methoxyethyl)-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124789023) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is (8R)-2-(1,3-benzodioxol-5-ylmethyl)-8-(2-methoxyethyl)-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(8R)-2-(1,3-benzodioxol-5-ylmethyl)-8-(2-methoxyethyl)-5-oxa-2-azaspiro[3.5]nonane
PubChem CID124789023
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name(8R)-2-(1,3-benzodioxol-5-ylmethyl)-8-(2-methoxyethyl)-5-oxa-2-azaspiro[3.5]nonane
SMILESCOCC[C@@H]1CCOC2(C1)CN(Cc1ccc3c(c1)OCO3)C2
InChIInChI=1S/C18H25NO4/c1-20-6-4-14-5-7-23-18(9-14)11-19(12-18)10-15-2-3-16-17(8-15)22-13-21-16/h2-3,8,14H,4-7,9-13H2,1H3/t14-/m1/s1
InChIKeyBTYMHNOPFLWWJV-CQSZACIVSA-N
XLogP2.43
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (8R)-2-(1,3-benzodioxol-5-ylmethyl)-8-(2-methoxyethyl)-5-oxa-2-azaspiro[3.5]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(1,3-benzodioxol-5-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155833689
(8S)-2-(1,3-benzodioxol-5-ylmethyl)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane
CID 124814715
(3S)-8-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 97450721
(3R)-8-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 97450720
(8S)-2-[(1-methylpyrazol-4-yl)methyl]-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124818161
N-[[2-(1,3-benzodioxol-5-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-2-methylpropanamide
CID 133143312
(7R)-5-(1,3-benzodioxol-5-ylmethyl)-7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124796390
2-(1,3-benzodioxol-5-ylmethyl)-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane
CID 133142916
N-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]methyl]ethanamine
CID 80550714
N-[[2-(1,3-benzodioxol-5-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine
CID 131645655
(3S)-8-(1,3-benzodioxol-5-ylmethyl)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 97417981
N,N-dimethyl-2-[2-[(8R)-2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]acetamide
CID 124808239

Frequently Asked Questions

What is the IUPAC name of (8R)-2-(1,3-benzodioxol-5-ylmethyl)-8-(2-methoxyethyl)-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of (8R)-2-(1,3-benzodioxol-5-ylmethyl)-8-(2-methoxyethyl)-5-oxa-2-azaspiro[3.5]nonane (CID 124789023) is (8R)-2-(1,3-benzodioxol-5-ylmethyl)-8-(2-methoxyethyl)-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for (8R)-2-(1,3-benzodioxol-5-ylmethyl)-8-(2-methoxyethyl)-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for (8R)-2-(1,3-benzodioxol-5-ylmethyl)-8-(2-methoxyethyl)-5-oxa-2-azaspiro[3.5]nonane is COCC[C@@H]1CCOC2(C1)CN(Cc1ccc3c(c1)OCO3)C2.
What is the InChIKey of (8R)-2-(1,3-benzodioxol-5-ylmethyl)-8-(2-methoxyethyl)-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is BTYMHNOPFLWWJV-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25NO4/c1-20-6-4-14-5-7-23-18(9-14)11-19(12-18)10-15-2-3-16-17(8-15)22-13-21-16/h2-3,8,14H,4-7,9-13H2,1H3/t14-/m1/s1.
What are the key properties of (8R)-2-(1,3-benzodioxol-5-ylmethyl)-8-(2-methoxyethyl)-5-oxa-2-azaspiro[3.5]nonane?
(8R)-2-(1,3-benzodioxol-5-ylmethyl)-8-(2-methoxyethyl)-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 319.40 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-2-(1,3-benzodioxol-5-ylmethyl)-8-(2-methoxyethyl)-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124789023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).