[(3R,5S)-3-(pyridin-4-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone

C19H27N3O3 — CID 97419544

IUPAC[(3R,5S)-3-(pyridin-4-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCC[C@]2(C[C@@H](OCc3ccncc3)CO2)C1
InChIInChI=1S/C19H27N3O3/c23-18(21-9-1-2-10-21)22-11-3-6-19(15-22)12-17(14-25-19)24-13-16-4-7-20-8-5-16/h4-5,7-8,17H,1-3,6,9-15H2/t17-,19+/m1/s1
InChIKeyPFQDIONCPCIZHA-MJGOQNOKSA-N
MW345.44 g/mol
LogP2.44
Rot. Bonds3

About [(3R,5S)-3-(pyridin-4-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone

[(3R,5S)-3-(pyridin-4-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone (PubChem CID 97419544) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is [(3R,5S)-3-(pyridin-4-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3R,5S)-3-(pyridin-4-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone
PubChem CID97419544
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name[(3R,5S)-3-(pyridin-4-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCC[C@]2(C[C@@H](OCc3ccncc3)CO2)C1
InChIInChI=1S/C19H27N3O3/c23-18(21-9-1-2-10-21)22-11-3-6-19(15-22)12-17(14-25-19)24-13-16-4-7-20-8-5-16/h4-5,7-8,17H,1-3,6,9-15H2/t17-,19+/m1/s1
InChIKeyPFQDIONCPCIZHA-MJGOQNOKSA-N
XLogP2.44
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-3-(pyridin-4-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3R,5S)-3-(pyridin-4-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone (CID 97419544) is [(3R,5S)-3-(pyridin-4-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3R,5S)-3-(pyridin-4-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3R,5S)-3-(pyridin-4-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)N1CCC[C@]2(C[C@@H](OCc3ccncc3)CO2)C1.
What is the InChIKey of [(3R,5S)-3-(pyridin-4-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is PFQDIONCPCIZHA-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-18(21-9-1-2-10-21)22-11-3-6-19(15-22)12-17(14-25-19)24-13-16-4-7-20-8-5-16/h4-5,7-8,17H,1-3,6,9-15H2/t17-,19+/m1/s1.
What are the key properties of [(3R,5S)-3-(pyridin-4-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone?
[(3R,5S)-3-(pyridin-4-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 345.44 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-3-(pyridin-4-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97419544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).