2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(8-azaspiro[4.5]decan-8-yl)ethanone

C18H30N2O — CID 79611050

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(8-azaspiro[4.5]decan-8-yl)ethanone
SMILESO=C(CC1CC2CCC(C1)N2)N1CCC2(CCCC2)CC1
InChIInChI=1S/C18H30N2O/c21-17(13-14-11-15-3-4-16(12-14)19-15)20-9-7-18(8-10-20)5-1-2-6-18/h14-16,19H,1-13H2
InChIKeyINFODYQCKWWFDJ-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.09
Rot. Bonds2

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(8-azaspiro[4.5]decan-8-yl)ethanone

2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(8-azaspiro[4.5]decan-8-yl)ethanone (PubChem CID 79611050) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(8-azaspiro[4.5]decan-8-yl)ethanone.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(8-azaspiro[4.5]decan-8-yl)ethanone
PubChem CID79611050
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(8-azaspiro[4.5]decan-8-yl)ethanone
SMILESO=C(CC1CC2CCC(C1)N2)N1CCC2(CCCC2)CC1
InChIInChI=1S/C18H30N2O/c21-17(13-14-11-15-3-4-16(12-14)19-15)20-9-7-18(8-10-20)5-1-2-6-18/h14-16,19H,1-13H2
InChIKeyINFODYQCKWWFDJ-UHFFFAOYSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(8-azaspiro[4.5]decan-8-yl)ethanone with MolForge

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Related Compounds

1-(4-acetyl-1,4-diazepan-1-yl)-2-(8-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 79610796
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 79607332
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 79607933
1-(3-azaspiro[5.5]undecan-3-yl)-2-(azetidin-3-yl)ethanone
CID 64609584
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidine-4-carboxamide
CID 79607842
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 79607325
1-(3-azaspiro[5.5]undecan-3-yl)-2-piperidin-3-ylethanone
CID 62932288
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone;dihydrochloride
CID 119836910
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-propan-2-ylazepan-1-yl)ethanone;hydrochloride
CID 119787865
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(4-methylcyclohexyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119887478
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone
CID 119834264
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-propoxyazepan-1-yl)ethanone
CID 119780018

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(8-azaspiro[4.5]decan-8-yl)ethanone?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(8-azaspiro[4.5]decan-8-yl)ethanone (CID 79611050) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(8-azaspiro[4.5]decan-8-yl)ethanone.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(8-azaspiro[4.5]decan-8-yl)ethanone?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(8-azaspiro[4.5]decan-8-yl)ethanone is O=C(CC1CC2CCC(C1)N2)N1CCC2(CCCC2)CC1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(8-azaspiro[4.5]decan-8-yl)ethanone?
The InChIKey is INFODYQCKWWFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c21-17(13-14-11-15-3-4-16(12-14)19-15)20-9-7-18(8-10-20)5-1-2-6-18/h14-16,19H,1-13H2.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(8-azaspiro[4.5]decan-8-yl)ethanone?
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(8-azaspiro[4.5]decan-8-yl)ethanone has a molecular weight of 290.45 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(8-azaspiro[4.5]decan-8-yl)ethanone is sourced from PubChem (CID 79611050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).