9-(3-pyridin-3-yloxypropyl)-2-oxa-9-azaspiro[4.5]decan-8-one

C16H22N2O3 — CID 72888983

IUPAC9-(3-pyridin-3-yloxypropyl)-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESO=C1CCC2(CCOC2)CN1CCCOc1cccnc1
InChIInChI=1S/C16H22N2O3/c19-15-4-5-16(6-10-20-13-16)12-18(15)8-2-9-21-14-3-1-7-17-11-14/h1,3,7,11H,2,4-6,8-10,12-13H2
InChIKeyQDCQISUOPPUPEY-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.88
Rot. Bonds5

About 9-(3-pyridin-3-yloxypropyl)-2-oxa-9-azaspiro[4.5]decan-8-one

9-(3-pyridin-3-yloxypropyl)-2-oxa-9-azaspiro[4.5]decan-8-one (PubChem CID 72888983) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 9-(3-pyridin-3-yloxypropyl)-2-oxa-9-azaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name9-(3-pyridin-3-yloxypropyl)-2-oxa-9-azaspiro[4.5]decan-8-one
PubChem CID72888983
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name9-(3-pyridin-3-yloxypropyl)-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESO=C1CCC2(CCOC2)CN1CCCOc1cccnc1
InChIInChI=1S/C16H22N2O3/c19-15-4-5-16(6-10-20-13-16)12-18(15)8-2-9-21-14-3-1-7-17-11-14/h1,3,7,11H,2,4-6,8-10,12-13H2
InChIKeyQDCQISUOPPUPEY-UHFFFAOYSA-N
XLogP1.88
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-((E)-2-pyridin-4-yl-vinyl)-pyridine
CID 44372347
US10858373, Example 14
CID 135238284
(4-Methoxyphenyl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone
CID 71604368
(1R,3S,5R)-2-methyl-3-(pyridin-3-yloxymethyl)-2-azabicyclo[3.1.0]hexane
CID 125486369
US10858373, Example 53
CID 135238477
US10730889, Example 377
CID 145741288
8-[(6-Ethoxypyridin-3-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 50967458
2-(4-Methylphenyl)-1-{4-[2-(pyridin-3-yloxy)ethyl]piperidin-1-YL}ethan-1-one
CID 53150994
2-(3-Fluorophenyl)-1-{4-[2-(3-pyridyloxy)ethyl]piperidino}-1-ethanone
CID 53151002
2-(4-Fluorophenyl)-1-{4-[2-(pyridin-3-yloxy)ethyl]piperidin-1-YL}ethan-1-one
CID 53151003
2-(2-Fluorophenyl)-1-{4-[2-(pyridin-3-yloxy)ethyl]piperidin-1-YL}ethan-1-one
CID 53151005
1-{4-[2-(Pyridin-3-yloxy)ethyl]piperidin-1-YL}ethan-1-one
CID 53151020

Frequently Asked Questions

What is the IUPAC name of 9-(3-pyridin-3-yloxypropyl)-2-oxa-9-azaspiro[4.5]decan-8-one?
The IUPAC name of 9-(3-pyridin-3-yloxypropyl)-2-oxa-9-azaspiro[4.5]decan-8-one (CID 72888983) is 9-(3-pyridin-3-yloxypropyl)-2-oxa-9-azaspiro[4.5]decan-8-one.
What is the SMILES notation for 9-(3-pyridin-3-yloxypropyl)-2-oxa-9-azaspiro[4.5]decan-8-one?
The canonical SMILES for 9-(3-pyridin-3-yloxypropyl)-2-oxa-9-azaspiro[4.5]decan-8-one is O=C1CCC2(CCOC2)CN1CCCOc1cccnc1.
What is the InChIKey of 9-(3-pyridin-3-yloxypropyl)-2-oxa-9-azaspiro[4.5]decan-8-one?
The InChIKey is QDCQISUOPPUPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-15-4-5-16(6-10-20-13-16)12-18(15)8-2-9-21-14-3-1-7-17-11-14/h1,3,7,11H,2,4-6,8-10,12-13H2.
What are the key properties of 9-(3-pyridin-3-yloxypropyl)-2-oxa-9-azaspiro[4.5]decan-8-one?
9-(3-pyridin-3-yloxypropyl)-2-oxa-9-azaspiro[4.5]decan-8-one has a molecular weight of 290.36 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-pyridin-3-yloxypropyl)-2-oxa-9-azaspiro[4.5]decan-8-one is sourced from PubChem (CID 72888983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).