8-[(4-methoxyphenyl)methyl]-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane

C21H26N2O3 — CID 131652795

IUPAC8-[(4-methoxyphenyl)methyl]-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane
SMILESCOc1ccc(CN2CCC3(CC2)CC(Oc2ccccn2)CO3)cc1
InChIInChI=1S/C21H26N2O3/c1-24-18-7-5-17(6-8-18)15-23-12-9-21(10-13-23)14-19(16-25-21)26-20-4-2-3-11-22-20/h2-8,11,19H,9-10,12-16H2,1H3
InChIKeyJELODSFHVMAUNJ-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.29
Rot. Bonds5

About 8-[(4-methoxyphenyl)methyl]-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane

8-[(4-methoxyphenyl)methyl]-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane (PubChem CID 131652795) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 8-[(4-methoxyphenyl)methyl]-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(4-methoxyphenyl)methyl]-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane
PubChem CID131652795
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name8-[(4-methoxyphenyl)methyl]-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane
SMILESCOc1ccc(CN2CCC3(CC2)CC(Oc2ccccn2)CO3)cc1
InChIInChI=1S/C21H26N2O3/c1-24-18-7-5-17(6-8-18)15-23-12-9-21(10-13-23)14-19(16-25-21)26-20-4-2-3-11-22-20/h2-8,11,19H,9-10,12-16H2,1H3
InChIKeyJELODSFHVMAUNJ-UHFFFAOYSA-N
XLogP3.29
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-8-(pyridin-3-ylmethyl)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane
CID 97419188
(3S,5R)-7-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 124821973
(3S,5S)-7-(pyridin-2-ylmethyl)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 97419877
(3R,5S)-7-(pyridin-2-ylmethyl)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 97420051
8-(pyridin-3-ylmethyl)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 171696954
(3R)-8-[(4-fluorophenyl)methyl]-3-phenoxy-1-oxa-8-azaspiro[4.5]decane
CID 97488457
8-[(4-methoxyphenyl)methyl]-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 131639696
8-[(4-methoxyphenyl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane
CID 118745893
(3R)-3-ethoxy-8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97450678
(3R,5S)-3-pyridin-2-yloxy-7-(thiophen-3-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155849353
(3S)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97419260
8-(cyclopropylmethyl)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 171695866

Frequently Asked Questions

What is the IUPAC name of 8-[(4-methoxyphenyl)methyl]-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(4-methoxyphenyl)methyl]-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane (CID 131652795) is 8-[(4-methoxyphenyl)methyl]-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(4-methoxyphenyl)methyl]-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(4-methoxyphenyl)methyl]-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane is COc1ccc(CN2CCC3(CC2)CC(Oc2ccccn2)CO3)cc1.
What is the InChIKey of 8-[(4-methoxyphenyl)methyl]-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is JELODSFHVMAUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-24-18-7-5-17(6-8-18)15-23-12-9-21(10-13-23)14-19(16-25-21)26-20-4-2-3-11-22-20/h2-8,11,19H,9-10,12-16H2,1H3.
What are the key properties of 8-[(4-methoxyphenyl)methyl]-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane?
8-[(4-methoxyphenyl)methyl]-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 354.45 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-methoxyphenyl)methyl]-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 131652795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).