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

C18H24N2O5 — CID 155872470

IUPACcyclopropyl-[(3R,5R)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;formic acid
SMILESO=C(C1CC1)N1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1.O=CO
InChIInChI=1S/C17H22N2O3.CH2O2/c20-16(13-5-6-13)19-9-3-7-17(12-19)10-14(11-21-17)22-15-4-1-2-8-18-15;2-1-3/h1-2,4,8,13-14H,3,5-7,9-12H2;1H,(H,2,3)/t14-,17-;/m1./s1
InChIKeyOEQGUBMGCCTMGT-SATBOSKTSA-N
MW348.40 g/mol
LogP1.72
Rot. Bonds3

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

cyclopropyl-[(3R,5R)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;formic acid (PubChem CID 155872470) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is cyclopropyl-[(3R,5R)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;formic acid.

Molecular Properties

Compound Namecyclopropyl-[(3R,5R)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;formic acid
PubChem CID155872470
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Namecyclopropyl-[(3R,5R)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;formic acid
SMILESO=C(C1CC1)N1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1.O=CO
InChIInChI=1S/C17H22N2O3.CH2O2/c20-16(13-5-6-13)19-9-3-7-17(12-19)10-14(11-21-17)22-15-4-1-2-8-18-15;2-1-3/h1-2,4,8,13-14H,3,5-7,9-12H2;1H,(H,2,3)/t14-,17-;/m1./s1
InChIKeyOEQGUBMGCCTMGT-SATBOSKTSA-N
XLogP1.72
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

formic acid;1-[(3R,5R)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 155858200
[(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
pyrazin-2-yl-[(3R,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419587
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
2-(furan-2-yl)-1-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 97419778
cyclopropyl-[(3S,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419741
(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
oxalic acid;oxolan-3-yl-[(3S,5R)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 155870650
2-cyclopropyl-1-[(3S,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 97476636
cyclopropyl-[(3R,5S)-3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 124818809

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3R,5R)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;formic acid?
The IUPAC name of cyclopropyl-[(3R,5R)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;formic acid (CID 155872470) is cyclopropyl-[(3R,5R)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;formic acid.
What is the SMILES notation for cyclopropyl-[(3R,5R)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;formic acid?
The canonical SMILES for cyclopropyl-[(3R,5R)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;formic acid is O=C(C1CC1)N1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1.O=CO.
What is the InChIKey of cyclopropyl-[(3R,5R)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;formic acid?
The InChIKey is OEQGUBMGCCTMGT-SATBOSKTSA-N. The full InChI is InChI=1S/C17H22N2O3.CH2O2/c20-16(13-5-6-13)19-9-3-7-17(12-19)10-14(11-21-17)22-15-4-1-2-8-18-15;2-1-3/h1-2,4,8,13-14H,3,5-7,9-12H2;1H,(H,2,3)/t14-,17-;/m1./s1.
What are the key properties of cyclopropyl-[(3R,5R)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;formic acid?
cyclopropyl-[(3R,5R)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;formic acid has a molecular weight of 348.40 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(3R,5R)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;formic acid is sourced from PubChem (CID 155872470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).