cyclohexyl-[(3R)-3-(pyridin-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone

C21H30N2O2 — CID 125009836

IUPACcyclohexyl-[(3R)-3-(pyridin-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC2(CC1)CO[C@H](Cc1cccnc1)C2
InChIInChI=1S/C21H30N2O2/c24-20(18-6-2-1-3-7-18)23-11-8-21(9-12-23)14-19(25-16-21)13-17-5-4-10-22-15-17/h4-5,10,15,18-19H,1-3,6-9,11-14,16H2/t19-/m1/s1
InChIKeyVFDRMFLVCFUHFS-LJQANCHMSA-N
MW342.48 g/mol
LogP3.60
Rot. Bonds3

About cyclohexyl-[(3R)-3-(pyridin-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone

cyclohexyl-[(3R)-3-(pyridin-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone (PubChem CID 125009836) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is cyclohexyl-[(3R)-3-(pyridin-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(3R)-3-(pyridin-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
PubChem CID125009836
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Namecyclohexyl-[(3R)-3-(pyridin-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC2(CC1)CO[C@H](Cc1cccnc1)C2
InChIInChI=1S/C21H30N2O2/c24-20(18-6-2-1-3-7-18)23-11-8-21(9-12-23)14-19(25-16-21)13-17-5-4-10-22-15-17/h4-5,10,15,18-19H,1-3,6-9,11-14,16H2/t19-/m1/s1
InChIKeyVFDRMFLVCFUHFS-LJQANCHMSA-N
XLogP3.60
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

pyrazin-2-yl-[(7S)-7-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124958270
1-[3-[(3-hydroxypyrrolidin-1-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-pyridin-3-ylpropan-1-one
CID 131678862
2-cyclopentyl-1-[(3S)-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97418347
cyclohexyl-[4-[oxan-4-yl(pyridin-3-ylmethyl)amino]piperidin-1-yl]methanone
CID 91916226
(3-hydroxy-3-methylcyclobutyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 170372559
oxan-4-yl-[(7R)-7-(pyrimidin-5-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 125004221
cyclohexyl-[5-(pyridin-3-ylmethyl)spiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-1'-yl]methanone
CID 110067150
[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone
CID 97418040
[(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
CID 125015393
furan-3-yl-[3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131644782
1-(cyclopentanecarbonyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083956
(4,4-difluoropiperidin-1-yl)-[1-(pyridin-3-ylmethyl)piperidin-4-yl]methanone
CID 155975853

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(3R)-3-(pyridin-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of cyclohexyl-[(3R)-3-(pyridin-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone (CID 125009836) is cyclohexyl-[(3R)-3-(pyridin-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for cyclohexyl-[(3R)-3-(pyridin-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for cyclohexyl-[(3R)-3-(pyridin-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone is O=C(C1CCCCC1)N1CCC2(CC1)CO[C@H](Cc1cccnc1)C2.
What is the InChIKey of cyclohexyl-[(3R)-3-(pyridin-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The InChIKey is VFDRMFLVCFUHFS-LJQANCHMSA-N. The full InChI is InChI=1S/C21H30N2O2/c24-20(18-6-2-1-3-7-18)23-11-8-21(9-12-23)14-19(25-16-21)13-17-5-4-10-22-15-17/h4-5,10,15,18-19H,1-3,6-9,11-14,16H2/t19-/m1/s1.
What are the key properties of cyclohexyl-[(3R)-3-(pyridin-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
cyclohexyl-[(3R)-3-(pyridin-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone has a molecular weight of 342.48 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(3R)-3-(pyridin-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 125009836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).