formic acid;1-[(3R,5R)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone

C16H22N2O5 — CID 155858200

IUPACformic acid;1-[(3R,5R)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
SMILESCC(=O)N1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1.O=CO
InChIInChI=1S/C15H20N2O3.CH2O2/c1-12(18)17-8-4-6-15(11-17)9-13(10-19-15)20-14-5-2-3-7-16-14;2-1-3/h2-3,5,7,13H,4,6,8-11H2,1H3;1H,(H,2,3)/t13-,15-;/m1./s1
InChIKeyLEKGBUCJZWZNGT-SWYZXDRTSA-N
MW322.36 g/mol
LogP1.33
Rot. Bonds2

About formic acid;1-[(3R,5R)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone

formic acid;1-[(3R,5R)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone (PubChem CID 155858200) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is formic acid;1-[(3R,5R)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone.

Molecular Properties

Compound Nameformic acid;1-[(3R,5R)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
PubChem CID155858200
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Nameformic acid;1-[(3R,5R)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
SMILESCC(=O)N1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1.O=CO
InChIInChI=1S/C15H20N2O3.CH2O2/c1-12(18)17-8-4-6-15(11-17)9-13(10-19-15)20-14-5-2-3-7-16-14;2-1-3/h2-3,5,7,13H,4,6,8-11H2,1H3;1H,(H,2,3)/t13-,15-;/m1./s1
InChIKeyLEKGBUCJZWZNGT-SWYZXDRTSA-N
XLogP1.33
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze formic acid;1-[(3R,5R)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone with MolForge

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Related Compounds

cyclopropyl-[(3R,5R)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;formic acid
CID 155872470
[(3R,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyrrolidin-1-ylmethanone
CID 97420069
[(3S,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyrrolidin-1-ylmethanone
CID 97419892
1,3-oxazol-4-yl-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97484872
(4-methyl-1,3-oxazol-5-yl)-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419782
pyrazin-2-yl-[(3R,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419587
2-(furan-2-yl)-1-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 97419778
(4-methyl-1,3-oxazol-5-yl)-[(3R,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;2,2,2-trifluoroacetic acid
CID 155833164
phenyl-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone;2,2,2-trifluoroacetic acid
CID 155850390
(5-methyl-3-pyridinyl)-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97419880
2-cyclopropyl-1-[(3S,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 97476636
pyridin-2-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97371619

Frequently Asked Questions

What is the IUPAC name of formic acid;1-[(3R,5R)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
The IUPAC name of formic acid;1-[(3R,5R)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone (CID 155858200) is formic acid;1-[(3R,5R)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone.
What is the SMILES notation for formic acid;1-[(3R,5R)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
The canonical SMILES for formic acid;1-[(3R,5R)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone is CC(=O)N1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1.O=CO.
What is the InChIKey of formic acid;1-[(3R,5R)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
The InChIKey is LEKGBUCJZWZNGT-SWYZXDRTSA-N. The full InChI is InChI=1S/C15H20N2O3.CH2O2/c1-12(18)17-8-4-6-15(11-17)9-13(10-19-15)20-14-5-2-3-7-16-14;2-1-3/h2-3,5,7,13H,4,6,8-11H2,1H3;1H,(H,2,3)/t13-,15-;/m1./s1.
What are the key properties of formic acid;1-[(3R,5R)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
formic acid;1-[(3R,5R)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone has a molecular weight of 322.36 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1-[(3R,5R)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone is sourced from PubChem (CID 155858200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).