[(2R)-oxolan-2-yl]-[(3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone

C17H22N2O4 — CID 97394437

IUPAC[(2R)-oxolan-2-yl]-[(3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1
InChIInChI=1S/C17H22N2O4/c20-16(15-4-2-8-21-15)19-7-5-17(12-19)9-14(11-22-17)23-13-3-1-6-18-10-13/h1,3,6,10,14-15H,2,4-5,7-9,11-12H2/t14-,15-,17-/m1/s1
InChIKeyLRMCXNJJUKERNN-BFYDXBDKSA-N
MW318.37 g/mol
LogP1.40
Rot. Bonds3

About [(2R)-oxolan-2-yl]-[(3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone

[(2R)-oxolan-2-yl]-[(3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone (PubChem CID 97394437) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]-[(3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone.

Molecular Properties

Compound Name[(2R)-oxolan-2-yl]-[(3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
PubChem CID97394437
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name[(2R)-oxolan-2-yl]-[(3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1
InChIInChI=1S/C17H22N2O4/c20-16(15-4-2-8-21-15)19-7-5-17(12-19)9-14(11-22-17)23-13-3-1-6-18-10-13/h1,3,6,10,14-15H,2,4-5,7-9,11-12H2/t14-,15-,17-/m1/s1
InChIKeyLRMCXNJJUKERNN-BFYDXBDKSA-N
XLogP1.40
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

pyridin-4-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97409097
pyridin-4-yl-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97409098
pyridin-3-yl-(3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 134071304
(3R,5R)-N-cyclopropyl-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97485695
[(3S)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrrolidin-1-ylmethanone
CID 97488429
(1-methylpyrazol-4-yl)-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97419987
(3S,5S)-N,N-dimethyl-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 97371636
furan-3-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97488964
2-(dimethylamino)-1-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
CID 97394423
2-(dimethylamino)-1-[(3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
CID 97394424
(1-methylpyrazol-4-yl)-[(3S,5S)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97476687
(3R,5R)-N-(pyridin-3-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97485718

Frequently Asked Questions

What is the IUPAC name of [(2R)-oxolan-2-yl]-[(3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
The IUPAC name of [(2R)-oxolan-2-yl]-[(3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone (CID 97394437) is [(2R)-oxolan-2-yl]-[(3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone.
What is the SMILES notation for [(2R)-oxolan-2-yl]-[(3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
The canonical SMILES for [(2R)-oxolan-2-yl]-[(3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone is O=C([C@H]1CCCO1)N1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1.
What is the InChIKey of [(2R)-oxolan-2-yl]-[(3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
The InChIKey is LRMCXNJJUKERNN-BFYDXBDKSA-N. The full InChI is InChI=1S/C17H22N2O4/c20-16(15-4-2-8-21-15)19-7-5-17(12-19)9-14(11-22-17)23-13-3-1-6-18-10-13/h1,3,6,10,14-15H,2,4-5,7-9,11-12H2/t14-,15-,17-/m1/s1.
What are the key properties of [(2R)-oxolan-2-yl]-[(3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
[(2R)-oxolan-2-yl]-[(3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone has a molecular weight of 318.37 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxolan-2-yl]-[(3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone is sourced from PubChem (CID 97394437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).