(2R,4R)-4-ethoxy-2-pyridin-3-yl-1-oxa-9-azaspiro[5.5]undecane

C16H24N2O2 — CID 126741056

IUPAC(2R,4R)-4-ethoxy-2-pyridin-3-yl-1-oxa-9-azaspiro[5.5]undecane
SMILESCCO[C@@H]1C[C@H](c2cccnc2)OC2(CCNCC2)C1
InChIInChI=1S/C16H24N2O2/c1-2-19-14-10-15(13-4-3-7-18-12-13)20-16(11-14)5-8-17-9-6-16/h3-4,7,12,14-15,17H,2,5-6,8-11H2,1H3/t14-,15-/m1/s1
InChIKeyZHWLEIFJQTWHBY-HUUCEWRRSA-N
MW276.38 g/mol
LogP2.46
Rot. Bonds3

About (2R,4R)-4-ethoxy-2-pyridin-3-yl-1-oxa-9-azaspiro[5.5]undecane

(2R,4R)-4-ethoxy-2-pyridin-3-yl-1-oxa-9-azaspiro[5.5]undecane (PubChem CID 126741056) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2R,4R)-4-ethoxy-2-pyridin-3-yl-1-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name(2R,4R)-4-ethoxy-2-pyridin-3-yl-1-oxa-9-azaspiro[5.5]undecane
PubChem CID126741056
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2R,4R)-4-ethoxy-2-pyridin-3-yl-1-oxa-9-azaspiro[5.5]undecane
SMILESCCO[C@@H]1C[C@H](c2cccnc2)OC2(CCNCC2)C1
InChIInChI=1S/C16H24N2O2/c1-2-19-14-10-15(13-4-3-7-18-12-13)20-16(11-14)5-8-17-9-6-16/h3-4,7,12,14-15,17H,2,5-6,8-11H2,1H3/t14-,15-/m1/s1
InChIKeyZHWLEIFJQTWHBY-HUUCEWRRSA-N
XLogP2.46
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

4-ethoxy-2-(5-fluoro-3-pyridinyl)-1-oxa-9-azaspiro[5.5]undecane
CID 129019090
(8R,10S)-10-ethoxy-8-pyridin-2-yl-1-oxa-3-azaspiro[5.5]undecane
CID 140662943
(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(6-methoxy-5-methyl-3-pyridinyl)methanone
CID 71667074
(2S,4S)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 141372126
(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone
CID 71665898
(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(2-methyl-5-phenyl-2H-pyrrol-3-yl)methanone
CID 123690648
(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 71668107
(3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 97486909
9-[2-(1-benzofuran-2-yl)oxiran-2-yl]-4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecane
CID 123403342
(3,5-dimethoxy-4-methylphenyl)-[(2R,4R)-4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 126740904
(4-chloro-3-methylphenyl)-(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 123839158
(3,4-difluoro-2-methoxyphenyl)-(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 71666938

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-ethoxy-2-pyridin-3-yl-1-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of (2R,4R)-4-ethoxy-2-pyridin-3-yl-1-oxa-9-azaspiro[5.5]undecane (CID 126741056) is (2R,4R)-4-ethoxy-2-pyridin-3-yl-1-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for (2R,4R)-4-ethoxy-2-pyridin-3-yl-1-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for (2R,4R)-4-ethoxy-2-pyridin-3-yl-1-oxa-9-azaspiro[5.5]undecane is CCO[C@@H]1C[C@H](c2cccnc2)OC2(CCNCC2)C1.
What is the InChIKey of (2R,4R)-4-ethoxy-2-pyridin-3-yl-1-oxa-9-azaspiro[5.5]undecane?
The InChIKey is ZHWLEIFJQTWHBY-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-19-14-10-15(13-4-3-7-18-12-13)20-16(11-14)5-8-17-9-6-16/h3-4,7,12,14-15,17H,2,5-6,8-11H2,1H3/t14-,15-/m1/s1.
What are the key properties of (2R,4R)-4-ethoxy-2-pyridin-3-yl-1-oxa-9-azaspiro[5.5]undecane?
(2R,4R)-4-ethoxy-2-pyridin-3-yl-1-oxa-9-azaspiro[5.5]undecane has a molecular weight of 276.38 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-ethoxy-2-pyridin-3-yl-1-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 126741056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).