(8S)-2-[(2-methoxy-3-pyridinyl)methyl]-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane

C21H27N3O3 — CID 124796905

IUPAC(8S)-2-[(2-methoxy-3-pyridinyl)methyl]-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane
SMILESCOc1ncccc1CN1CC2(C1)OCC[C@@H]2CCOCc1ccccn1
InChIInChI=1S/C21H27N3O3/c1-25-20-17(5-4-10-23-20)13-24-15-21(16-24)18(8-12-27-21)7-11-26-14-19-6-2-3-9-22-19/h2-6,9-10,18H,7-8,11-16H2,1H3/t18-/m0/s1
InChIKeyUEYCFCVZIFRDBM-SFHVURJKSA-N
MW369.47 g/mol
LogP2.68
Rot. Bonds8

About (8S)-2-[(2-methoxy-3-pyridinyl)methyl]-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane

(8S)-2-[(2-methoxy-3-pyridinyl)methyl]-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane (PubChem CID 124796905) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is (8S)-2-[(2-methoxy-3-pyridinyl)methyl]-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name(8S)-2-[(2-methoxy-3-pyridinyl)methyl]-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane
PubChem CID124796905
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name(8S)-2-[(2-methoxy-3-pyridinyl)methyl]-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane
SMILESCOc1ncccc1CN1CC2(C1)OCC[C@@H]2CCOCc1ccccn1
InChIInChI=1S/C21H27N3O3/c1-25-20-17(5-4-10-23-20)13-24-15-21(16-24)18(8-12-27-21)7-11-26-14-19-6-2-3-9-22-19/h2-6,9-10,18H,7-8,11-16H2,1H3/t18-/m0/s1
InChIKeyUEYCFCVZIFRDBM-SFHVURJKSA-N
XLogP2.68
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

(8S)-8-[2-(pyridin-2-ylmethoxy)ethyl]-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124798743
(8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-[(2-methoxy-3-pyridinyl)methyl]-5-oxa-2-azaspiro[3.4]octane
CID 124791081
(8S)-2-[(2-methoxyphenyl)methyl]-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124817074
(8R)-2-methylsulfonyl-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane
CID 124782572
4-[2-(pyridin-2-ylmethoxy)ethyl]-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 131658499
2-(pyridin-2-ylmethyl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane
CID 131649467
(8R)-2-(pyridin-2-ylmethyl)-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124814207
(1-methylpyrazol-4-yl)-[(8R)-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124819410
(8S)-8-[2-(pyridin-4-ylmethoxy)ethyl]-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124790929
1-adamantyl-[8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131692091
(8S)-2-[(4-methoxyphenyl)methyl]-8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane
CID 124794176
2-[(2-methoxyphenyl)methyl]-8-(pyridin-3-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 133139489

Frequently Asked Questions

What is the IUPAC name of (8S)-2-[(2-methoxy-3-pyridinyl)methyl]-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of (8S)-2-[(2-methoxy-3-pyridinyl)methyl]-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane (CID 124796905) is (8S)-2-[(2-methoxy-3-pyridinyl)methyl]-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for (8S)-2-[(2-methoxy-3-pyridinyl)methyl]-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for (8S)-2-[(2-methoxy-3-pyridinyl)methyl]-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane is COc1ncccc1CN1CC2(C1)OCC[C@@H]2CCOCc1ccccn1.
What is the InChIKey of (8S)-2-[(2-methoxy-3-pyridinyl)methyl]-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is UEYCFCVZIFRDBM-SFHVURJKSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-25-20-17(5-4-10-23-20)13-24-15-21(16-24)18(8-12-27-21)7-11-26-14-19-6-2-3-9-22-19/h2-6,9-10,18H,7-8,11-16H2,1H3/t18-/m0/s1.
What are the key properties of (8S)-2-[(2-methoxy-3-pyridinyl)methyl]-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane?
(8S)-2-[(2-methoxy-3-pyridinyl)methyl]-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 369.47 g/mol, XLogP of 2.68, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-2-[(2-methoxy-3-pyridinyl)methyl]-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 124796905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).