8-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C17H29N3O2 — CID 56912126

IUPAC8-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(C[C@@H]3CCCN4CCCC[C@H]34)CC2)O1
InChIInChI=1S/C17H29N3O2/c21-16-18-13-17(22-16)6-10-19(11-7-17)12-14-4-3-9-20-8-2-1-5-15(14)20/h14-15H,1-13H2,(H,18,21)/t14-,15+/m0/s1
InChIKeyPFQFUOQTVOWHNA-LSDHHAIUSA-N
MW307.44 g/mol
LogP1.83
Rot. Bonds2

About 8-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 56912126) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 8-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID56912126
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name8-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(C[C@@H]3CCCN4CCCC[C@H]34)CC2)O1
InChIInChI=1S/C17H29N3O2/c21-16-18-13-17(22-16)6-10-19(11-7-17)12-14-4-3-9-20-8-2-1-5-15(14)20/h14-15H,1-13H2,(H,18,21)/t14-,15+/m0/s1
InChIKeyPFQFUOQTVOWHNA-LSDHHAIUSA-N
XLogP1.83
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

9-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-oxa-9-azaspiro[5.5]undecane
CID 56903234
4-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]piperazin-2-one
CID 50971793
1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-methylpiperidin-4-amine
CID 143088221
1-[[(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]pyrrolidine-2,5-dione
CID 91752858
8-(3,3-dimethylcyclopentyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 154571916
3-(2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 146818238
(5S)-9-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95724392
7-iodo-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 138702179
1-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 20980731
4-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2-phenylethyl)piperazin-2-one
CID 56903434
[1-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]piperidin-2-yl]methanol;dihydrochloride
CID 52994083
[(8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol
CID 11019091

Frequently Asked Questions

What is the IUPAC name of 8-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 56912126) is 8-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1NCC2(CCN(C[C@@H]3CCCN4CCCC[C@H]34)CC2)O1.
What is the InChIKey of 8-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is PFQFUOQTVOWHNA-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H29N3O2/c21-16-18-13-17(22-16)6-10-19(11-7-17)12-14-4-3-9-20-8-2-1-5-15(14)20/h14-15H,1-13H2,(H,18,21)/t14-,15+/m0/s1.
What are the key properties of 8-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 307.44 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 56912126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).