[(1S,5S)-6-(2-methyl-2-morpholin-4-ylpropyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyrazin-2-ylmethanone

C20H31N5O2 — CID 133117872

IUPAC[(1S,5S)-6-(2-methyl-2-morpholin-4-ylpropyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyrazin-2-ylmethanone
SMILESCC(C)(CN1C[C@@H]2CC[C@H]1CN(C(=O)c1cnccn1)C2)N1CCOCC1
InChIInChI=1S/C20H31N5O2/c1-20(2,25-7-9-27-10-8-25)15-24-13-16-3-4-17(24)14-23(12-16)19(26)18-11-21-5-6-22-18/h5-6,11,16-17H,3-4,7-10,12-15H2,1-2H3/t16-,17+/m1/s1
InChIKeyFNBINIHVXDORAD-SJORKVTESA-N
MW373.50 g/mol
LogP1.12
Rot. Bonds4

About [(1S,5S)-6-(2-methyl-2-morpholin-4-ylpropyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyrazin-2-ylmethanone

[(1S,5S)-6-(2-methyl-2-morpholin-4-ylpropyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyrazin-2-ylmethanone (PubChem CID 133117872) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is [(1S,5S)-6-(2-methyl-2-morpholin-4-ylpropyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(1S,5S)-6-(2-methyl-2-morpholin-4-ylpropyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyrazin-2-ylmethanone
PubChem CID133117872
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name[(1S,5S)-6-(2-methyl-2-morpholin-4-ylpropyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyrazin-2-ylmethanone
SMILESCC(C)(CN1C[C@@H]2CC[C@H]1CN(C(=O)c1cnccn1)C2)N1CCOCC1
InChIInChI=1S/C20H31N5O2/c1-20(2,25-7-9-27-10-8-25)15-24-13-16-3-4-17(24)14-23(12-16)19(26)18-11-21-5-6-22-18/h5-6,11,16-17H,3-4,7-10,12-15H2,1-2H3/t16-,17+/m1/s1
InChIKeyFNBINIHVXDORAD-SJORKVTESA-N
XLogP1.12
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(1R,5R)-6-(3-methylsulfanylpropyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyrazin-2-ylmethanone
CID 72923391
[(1S,5S)-6-(1-benzofuran-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyrazin-2-ylmethanone
CID 133120309
4-[2-methyl-1-[(1S,5R)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-2-yl]morpholine
CID 70785902
2-(cyclopropylmethylsulfanyl)-1-[(1S,5R)-3-(pyrazine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone
CID 72859268
2-methyl-2-morpholin-4-yl-1-pyrazin-2-ylpropan-1-one
CID 79045873
4-[1-[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-methylpropan-2-yl]morpholine
CID 72841268
1-[3-oxo-3-[(1R,5S)-3-(pyrazine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propyl]pyrrolidin-2-one
CID 133114277
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(1S,5R)-3-(pyrazine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 72859691
[(3aR,6aS)-2-(oxolan-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone
CID 131646464
2-(4-fluorophenyl)-1-[3-(pyrazine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone
CID 156606227
[(1S,5R)-6-(1-methylpyrazol-4-yl)sulfonyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyrazin-2-ylmethanone
CID 72876743
[(1S,5R)-6-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyrazin-2-ylmethanone
CID 72918185

Frequently Asked Questions

What is the IUPAC name of [(1S,5S)-6-(2-methyl-2-morpholin-4-ylpropyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(1S,5S)-6-(2-methyl-2-morpholin-4-ylpropyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyrazin-2-ylmethanone (CID 133117872) is [(1S,5S)-6-(2-methyl-2-morpholin-4-ylpropyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(1S,5S)-6-(2-methyl-2-morpholin-4-ylpropyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(1S,5S)-6-(2-methyl-2-morpholin-4-ylpropyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyrazin-2-ylmethanone is CC(C)(CN1C[C@@H]2CC[C@H]1CN(C(=O)c1cnccn1)C2)N1CCOCC1.
What is the InChIKey of [(1S,5S)-6-(2-methyl-2-morpholin-4-ylpropyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyrazin-2-ylmethanone?
The InChIKey is FNBINIHVXDORAD-SJORKVTESA-N. The full InChI is InChI=1S/C20H31N5O2/c1-20(2,25-7-9-27-10-8-25)15-24-13-16-3-4-17(24)14-23(12-16)19(26)18-11-21-5-6-22-18/h5-6,11,16-17H,3-4,7-10,12-15H2,1-2H3/t16-,17+/m1/s1.
What are the key properties of [(1S,5S)-6-(2-methyl-2-morpholin-4-ylpropyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyrazin-2-ylmethanone?
[(1S,5S)-6-(2-methyl-2-morpholin-4-ylpropyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyrazin-2-ylmethanone has a molecular weight of 373.50 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5S)-6-(2-methyl-2-morpholin-4-ylpropyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 133117872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).