cyclopenten-1-yl-[(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone

C20H26N2O3 — CID 97419567

IUPACcyclopenten-1-yl-[(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESO=C(C1=CCCC1)N1CCC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1
InChIInChI=1S/C20H26N2O3/c23-19(16-6-1-2-7-16)22-11-5-9-20(15-22)12-18(14-25-20)24-13-17-8-3-4-10-21-17/h3-4,6,8,10,18H,1-2,5,7,9,11-15H2/t18-,20+/m1/s1
InChIKeyPHUWFZIPVZTYJQ-QUCCMNQESA-N
MW342.44 g/mol
LogP2.86
Rot. Bonds4

About cyclopenten-1-yl-[(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone

cyclopenten-1-yl-[(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (PubChem CID 97419567) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is cyclopenten-1-yl-[(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.

Molecular Properties

Compound Namecyclopenten-1-yl-[(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
PubChem CID97419567
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Namecyclopenten-1-yl-[(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESO=C(C1=CCCC1)N1CCC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1
InChIInChI=1S/C20H26N2O3/c23-19(16-6-1-2-7-16)22-11-5-9-20(15-22)12-18(14-25-20)24-13-17-8-3-4-10-21-17/h3-4,6,8,10,18H,1-2,5,7,9,11-15H2/t18-,20+/m1/s1
InChIKeyPHUWFZIPVZTYJQ-QUCCMNQESA-N
XLogP2.86
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-[(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The IUPAC name of cyclopenten-1-yl-[(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (CID 97419567) is cyclopenten-1-yl-[(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.
What is the SMILES notation for cyclopenten-1-yl-[(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The canonical SMILES for cyclopenten-1-yl-[(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is O=C(C1=CCCC1)N1CCC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1.
What is the InChIKey of cyclopenten-1-yl-[(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The InChIKey is PHUWFZIPVZTYJQ-QUCCMNQESA-N. The full InChI is InChI=1S/C20H26N2O3/c23-19(16-6-1-2-7-16)22-11-5-9-20(15-22)12-18(14-25-20)24-13-17-8-3-4-10-21-17/h3-4,6,8,10,18H,1-2,5,7,9,11-15H2/t18-,20+/m1/s1.
What are the key properties of cyclopenten-1-yl-[(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
cyclopenten-1-yl-[(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone has a molecular weight of 342.44 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-[(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is sourced from PubChem (CID 97419567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).