(3R,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane

C12H16N2O2 — CID 97420064

IUPAC(3R,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
SMILESc1ccc(O[C@H]2CO[C@@]3(CCNC3)C2)nc1
InChIInChI=1S/C12H16N2O2/c1-2-5-14-11(3-1)16-10-7-12(15-8-10)4-6-13-9-12/h1-3,5,10,13H,4,6-9H2/t10-,12+/m1/s1
InChIKeyHVKLFMUJXVTWCM-PWSUYJOCSA-N
MW220.27 g/mol
LogP0.98
Rot. Bonds2

About (3R,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane

(3R,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane (PubChem CID 97420064) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (3R,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name(3R,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
PubChem CID97420064
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(3R,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
SMILESc1ccc(O[C@H]2CO[C@@]3(CCNC3)C2)nc1
InChIInChI=1S/C12H16N2O2/c1-2-5-14-11(3-1)16-10-7-12(15-8-10)4-6-13-9-12/h1-3,5,10,13H,4,6-9H2/t10-,12+/m1/s1
InChIKeyHVKLFMUJXVTWCM-PWSUYJOCSA-N
XLogP0.98
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 97486909
3-[(6-methyl-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930458
6-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pyridine-3-carbonitrile
CID 102930474
3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930637
(3S,5S)-7-(pyridin-2-ylmethyl)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 97419877
(3R,5S)-7-(pyridin-2-ylmethyl)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 97420051
[(3S,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyrrolidin-1-ylmethanone
CID 97419892
[(3R,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyrrolidin-1-ylmethanone
CID 97420069
(3S)-8-(pyridin-3-ylmethyl)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane
CID 97419188
6-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pyridine-2-carboxamide
CID 102930635
8-[(4-methoxyphenyl)methyl]-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane
CID 131652795
2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pyridine-3-carboxamide
CID 102930554

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of (3R,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane (CID 97420064) is (3R,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for (3R,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for (3R,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane is c1ccc(O[C@H]2CO[C@@]3(CCNC3)C2)nc1.
What is the InChIKey of (3R,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane?
The InChIKey is HVKLFMUJXVTWCM-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-5-14-11(3-1)16-10-7-12(15-8-10)4-6-13-9-12/h1-3,5,10,13H,4,6-9H2/t10-,12+/m1/s1.
What are the key properties of (3R,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane?
(3R,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane has a molecular weight of 220.27 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 97420064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).