(7S)-2-(2-methoxyethyl)-7-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[3.4]octane

C15H22N2O2 — CID 124987304

IUPAC(7S)-2-(2-methoxyethyl)-7-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[3.4]octane
SMILESCOCCN1CC2(CO[C@@H](Cc3cccnc3)C2)C1
InChIInChI=1S/C15H22N2O2/c1-18-6-5-17-10-15(11-17)8-14(19-12-15)7-13-3-2-4-16-9-13/h2-4,9,14H,5-8,10-12H2,1H3/t14-/m0/s1
InChIKeyOERPUPAAQNCIQM-AWEZNQCLSA-N
MW262.35 g/mol
LogP1.36
Rot. Bonds5

About (7S)-2-(2-methoxyethyl)-7-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[3.4]octane

(7S)-2-(2-methoxyethyl)-7-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[3.4]octane (PubChem CID 124987304) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (7S)-2-(2-methoxyethyl)-7-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name(7S)-2-(2-methoxyethyl)-7-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[3.4]octane
PubChem CID124987304
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(7S)-2-(2-methoxyethyl)-7-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[3.4]octane
SMILESCOCCN1CC2(CO[C@@H](Cc3cccnc3)C2)C1
InChIInChI=1S/C15H22N2O2/c1-18-6-5-17-10-15(11-17)8-14(19-12-15)7-13-3-2-4-16-9-13/h2-4,9,14H,5-8,10-12H2,1H3/t14-/m0/s1
InChIKeyOERPUPAAQNCIQM-AWEZNQCLSA-N
XLogP1.36
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(7S)-2-[(2-fluoro-3-methoxyphenyl)methyl]-7-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[3.4]octane
CID 124981849
(7S)-2-(3-phenylpropyl)-7-(pyrimidin-5-ylmethyl)-6-oxa-2-azaspiro[3.4]octane
CID 124960781
(7S)-2-[(4-chloro-3-fluorophenyl)methyl]-7-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[3.4]octane
CID 125009172
2-[(4-chloro-3-fluorophenyl)methyl]-7-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[3.4]octane
CID 110138636
pyrazin-2-yl-[(7S)-7-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124958270
(3R)-3-[(4-fluorophenyl)methyl]-8-(2-methoxyethyl)-2-oxa-8-azaspiro[4.5]decane
CID 124983316
2-[(3-fluorophenyl)methyl]-7-(pyrimidin-5-ylmethyl)-6-oxa-2-azaspiro[3.4]octane
CID 110138596
cyclohexyl-[(3R)-3-(pyridin-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 125009836
(2-methylpyrazol-3-yl)-[7-(pyrimidin-5-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 110138594
(7R)-2-pyrimidin-2-yl-7-(pyrimidin-5-ylmethyl)-6-oxa-2-azaspiro[3.4]octane
CID 125014198
(4-methoxyphenyl)-[7-(pyrimidin-5-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 127252504
7-benzyl-2-(1H-imidazol-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octane
CID 110138213

Frequently Asked Questions

What is the IUPAC name of (7S)-2-(2-methoxyethyl)-7-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[3.4]octane?
The IUPAC name of (7S)-2-(2-methoxyethyl)-7-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[3.4]octane (CID 124987304) is (7S)-2-(2-methoxyethyl)-7-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for (7S)-2-(2-methoxyethyl)-7-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for (7S)-2-(2-methoxyethyl)-7-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[3.4]octane is COCCN1CC2(CO[C@@H](Cc3cccnc3)C2)C1.
What is the InChIKey of (7S)-2-(2-methoxyethyl)-7-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[3.4]octane?
The InChIKey is OERPUPAAQNCIQM-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-18-6-5-17-10-15(11-17)8-14(19-12-15)7-13-3-2-4-16-9-13/h2-4,9,14H,5-8,10-12H2,1H3/t14-/m0/s1.
What are the key properties of (7S)-2-(2-methoxyethyl)-7-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[3.4]octane?
(7S)-2-(2-methoxyethyl)-7-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[3.4]octane has a molecular weight of 262.35 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-(2-methoxyethyl)-7-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 124987304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).