7-azabicyclo[2.2.1]heptan-2-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone

C16H25NO3 — CID 116575972

IUPAC7-azabicyclo[2.2.1]heptan-2-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
SMILESO=C(C1CCOC2(CCOCC2)C1)C1CC2CCC1N2
InChIInChI=1S/C16H25NO3/c18-15(13-9-12-1-2-14(13)17-12)11-3-6-20-16(10-11)4-7-19-8-5-16/h11-14,17H,1-10H2
InChIKeyQQEUXGLFMHNNMB-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.67
Rot. Bonds2

About 7-azabicyclo[2.2.1]heptan-2-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone

7-azabicyclo[2.2.1]heptan-2-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone (PubChem CID 116575972) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 7-azabicyclo[2.2.1]heptan-2-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone.

Molecular Properties

Compound Name7-azabicyclo[2.2.1]heptan-2-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
PubChem CID116575972
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name7-azabicyclo[2.2.1]heptan-2-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
SMILESO=C(C1CCOC2(CCOCC2)C1)C1CC2CCC1N2
InChIInChI=1S/C16H25NO3/c18-15(13-9-12-1-2-14(13)17-12)11-3-6-20-16(10-11)4-7-19-8-5-16/h11-14,17H,1-10H2
InChIKeyQQEUXGLFMHNNMB-UHFFFAOYSA-N
XLogP1.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-azabicyclo[2.2.1]heptan-2-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone with MolForge

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Related Compounds

2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopropyl)methanone
CID 79920975
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(2,6-dioxaspiro[4.5]decan-9-yl)methanone
CID 116549239
2,6-dioxaspiro[4.5]decan-9-yl-(2-methylpyrrolidin-3-yl)methanone
CID 116592083
2,6-dioxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 115787850
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116549168
cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79913745
2-(aminomethyl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-one
CID 116597911
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-3-ylethanone
CID 116583409
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-ethoxypropan-1-one
CID 105116599
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-piperidin-4-ylpropan-1-one
CID 116563375
1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methanone
CID 79921773
1-oxa-9-thiaspiro[5.5]undecan-4-yl(thiolan-2-yl)methanone
CID 80622871

Frequently Asked Questions

What is the IUPAC name of 7-azabicyclo[2.2.1]heptan-2-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone?
The IUPAC name of 7-azabicyclo[2.2.1]heptan-2-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone (CID 116575972) is 7-azabicyclo[2.2.1]heptan-2-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone.
What is the SMILES notation for 7-azabicyclo[2.2.1]heptan-2-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone?
The canonical SMILES for 7-azabicyclo[2.2.1]heptan-2-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone is O=C(C1CCOC2(CCOCC2)C1)C1CC2CCC1N2.
What is the InChIKey of 7-azabicyclo[2.2.1]heptan-2-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone?
The InChIKey is QQEUXGLFMHNNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c18-15(13-9-12-1-2-14(13)17-12)11-3-6-20-16(10-11)4-7-19-8-5-16/h11-14,17H,1-10H2.
What are the key properties of 7-azabicyclo[2.2.1]heptan-2-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone?
7-azabicyclo[2.2.1]heptan-2-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone has a molecular weight of 279.38 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azabicyclo[2.2.1]heptan-2-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone is sourced from PubChem (CID 116575972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).