(3R)-3-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane

C14H20N2O — CID 124640971

IUPAC(3R)-3-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESc1ccc(C[C@H]2COC3(CCNCC3)C2)nc1
InChIInChI=1S/C14H20N2O/c1-2-6-16-13(3-1)9-12-10-14(17-11-12)4-7-15-8-5-14/h1-3,6,12,15H,4-5,7-11H2/t12-/m1/s1
InChIKeyKXWYPWVXVDJRRD-GFCCVEGCSA-N
MW232.33 g/mol
LogP1.78
Rot. Bonds2

About (3R)-3-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane

(3R)-3-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 124640971) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (3R)-3-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-3-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID124640971
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(3R)-3-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESc1ccc(C[C@H]2COC3(CCNCC3)C2)nc1
InChIInChI=1S/C14H20N2O/c1-2-6-16-13(3-1)9-12-10-14(17-11-12)4-7-15-8-5-14/h1-3,6,12,15H,4-5,7-11H2/t12-/m1/s1
InChIKeyKXWYPWVXVDJRRD-GFCCVEGCSA-N
XLogP1.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-pyridin-2-ylpyridin-2-amine;hydrochloride
CID 171687499
(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane
CID 124977237
3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane
CID 110131042
(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane
CID 124977238
(3R)-3-(quinolin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 124971681
3-[(4-chlorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 73439149
2-(pyrrolidin-3-ylmethyl)pyridine;hydrochloride
CID 86262770
(3R)-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 124978658
(3S)-3-(pyrazin-2-ylmethyl)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane
CID 125022560
3-[[6-(5,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane
CID 155986724
5-(4-fluorophenyl)-N-[6-(1-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine
CID 71479429
(3R,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 97420064

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3R)-3-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane (CID 124640971) is (3R)-3-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3R)-3-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3R)-3-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane is c1ccc(C[C@H]2COC3(CCNCC3)C2)nc1.
What is the InChIKey of (3R)-3-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is KXWYPWVXVDJRRD-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-6-16-13(3-1)9-12-10-14(17-11-12)4-7-15-8-5-14/h1-3,6,12,15H,4-5,7-11H2/t12-/m1/s1.
What are the key properties of (3R)-3-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
(3R)-3-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 232.33 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 124640971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).