3-azabicyclo[3.3.1]nonan-3-yl(morpholin-3-yl)methanone

C13H22N2O2 — CID 114196397

IUPAC3-azabicyclo[3.3.1]nonan-3-yl(morpholin-3-yl)methanone
SMILESO=C(C1COCCN1)N1CC2CCCC(C2)C1
InChIInChI=1S/C13H22N2O2/c16-13(12-9-17-5-4-14-12)15-7-10-2-1-3-11(6-10)8-15/h10-12,14H,1-9H2
InChIKeyFKUWNOVZKZPPKL-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.62
Rot. Bonds1

About 3-azabicyclo[3.3.1]nonan-3-yl(morpholin-3-yl)methanone

3-azabicyclo[3.3.1]nonan-3-yl(morpholin-3-yl)methanone (PubChem CID 114196397) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-azabicyclo[3.3.1]nonan-3-yl(morpholin-3-yl)methanone.

Molecular Properties

Compound Name3-azabicyclo[3.3.1]nonan-3-yl(morpholin-3-yl)methanone
PubChem CID114196397
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-azabicyclo[3.3.1]nonan-3-yl(morpholin-3-yl)methanone
SMILESO=C(C1COCCN1)N1CC2CCCC(C2)C1
InChIInChI=1S/C13H22N2O2/c16-13(12-9-17-5-4-14-12)15-7-10-2-1-3-11(6-10)8-15/h10-12,14H,1-9H2
InChIKeyFKUWNOVZKZPPKL-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

morpholin-3-yl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66370424
[(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-morpholin-3-yl]methanone;hydrochloride
CID 130608601
cyclohexyl-[4-(morpholine-3-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119755465
[(3R)-morpholin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 130992240
(3-ethylpyrrolidin-1-yl)-morpholin-3-ylmethanone
CID 115740814
[1-(morpholine-3-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 119700492
morpholin-3-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103812428
[3-(azepan-1-ylmethyl)piperidin-1-yl]-morpholin-3-ylmethanone
CID 119875712
3-azabicyclo[3.3.1]nonan-3-yl-(5-methylpiperazin-2-yl)methanone
CID 114196496
(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)-morpholin-3-ylmethanone
CID 119899567
1-cyclohexyl-3-[1-(morpholine-3-carbonyl)piperidin-4-yl]urea;hydrochloride
CID 119750464
[(3S)-morpholin-3-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 124513213

Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.3.1]nonan-3-yl(morpholin-3-yl)methanone?
The IUPAC name of 3-azabicyclo[3.3.1]nonan-3-yl(morpholin-3-yl)methanone (CID 114196397) is 3-azabicyclo[3.3.1]nonan-3-yl(morpholin-3-yl)methanone.
What is the SMILES notation for 3-azabicyclo[3.3.1]nonan-3-yl(morpholin-3-yl)methanone?
The canonical SMILES for 3-azabicyclo[3.3.1]nonan-3-yl(morpholin-3-yl)methanone is O=C(C1COCCN1)N1CC2CCCC(C2)C1.
What is the InChIKey of 3-azabicyclo[3.3.1]nonan-3-yl(morpholin-3-yl)methanone?
The InChIKey is FKUWNOVZKZPPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c16-13(12-9-17-5-4-14-12)15-7-10-2-1-3-11(6-10)8-15/h10-12,14H,1-9H2.
What are the key properties of 3-azabicyclo[3.3.1]nonan-3-yl(morpholin-3-yl)methanone?
3-azabicyclo[3.3.1]nonan-3-yl(morpholin-3-yl)methanone has a molecular weight of 238.33 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[3.3.1]nonan-3-yl(morpholin-3-yl)methanone is sourced from PubChem (CID 114196397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).