2-[(2-methoxyphenyl)methyl]-8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane

C21H26N2O3 — CID 133139489

IUPAC2-[(2-methoxyphenyl)methyl]-8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
SMILESCOc1ccccc1CN1CC2(C1)OCCC2COCc1cccnc1
InChIInChI=1S/C21H26N2O3/c1-24-20-7-3-2-6-18(20)12-23-15-21(16-23)19(8-10-26-21)14-25-13-17-5-4-9-22-11-17/h2-7,9,11,19H,8,10,12-16H2,1H3
InChIKeyHAGIQZFKLXWOGQ-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.90
Rot. Bonds7

About 2-[(2-methoxyphenyl)methyl]-8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane

2-[(2-methoxyphenyl)methyl]-8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane (PubChem CID 133139489) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
PubChem CID133139489
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-[(2-methoxyphenyl)methyl]-8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
SMILESCOc1ccccc1CN1CC2(C1)OCCC2COCc1cccnc1
InChIInChI=1S/C21H26N2O3/c1-24-20-7-3-2-6-18(20)12-23-15-21(16-23)19(8-10-26-21)14-25-13-17-5-4-9-22-11-17/h2-7,9,11,19H,8,10,12-16H2,1H3
InChIKeyHAGIQZFKLXWOGQ-UHFFFAOYSA-N
XLogP2.90
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(8S)-8-(pyridin-3-ylmethoxymethyl)-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124796490
(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
8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 133139485
(8S)-8-[2-(pyridin-4-ylmethoxy)ethyl]-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124790929
(8S)-8-[2-(pyridin-2-ylmethoxy)ethyl]-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124798743
N-[2-[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-5-methylpyrimidin-2-amine
CID 131641516
N-[2-[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
CID 131662219
(8S)-2-[(2-methoxy-3-pyridinyl)methyl]-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane
CID 124796905
(2-methyl-1,3-thiazol-4-yl)-[8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131658059
2-(4-fluorophenyl)-1-[8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155836280
1-[2-[(8R)-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one
CID 124820278

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane (CID 133139489) is 2-[(2-methoxyphenyl)methyl]-8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane is COc1ccccc1CN1CC2(C1)OCCC2COCc1cccnc1.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is HAGIQZFKLXWOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-24-20-7-3-2-6-18(20)12-23-15-21(16-23)19(8-10-26-21)14-25-13-17-5-4-9-22-11-17/h2-7,9,11,19H,8,10,12-16H2,1H3.
What are the key properties of 2-[(2-methoxyphenyl)methyl]-8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane?
2-[(2-methoxyphenyl)methyl]-8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 354.45 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl]-8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 133139489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).