2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-morpholin-4-ylethanone

C11H19N3O2 — CID 70998653

IUPAC2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-morpholin-4-ylethanone
SMILESO=C(CN1C[C@@H]2C[C@H]1CN2)N1CCOCC1
InChIInChI=1S/C11H19N3O2/c15-11(13-1-3-16-4-2-13)8-14-7-9-5-10(14)6-12-9/h9-10,12H,1-8H2/t9-,10-/m0/s1
InChIKeyFJDCVGXNFOONMI-UWVGGRQHSA-N
MW225.29 g/mol
LogP-1.11
Rot. Bonds2

About 2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-morpholin-4-ylethanone

2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-morpholin-4-ylethanone (PubChem CID 70998653) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-morpholin-4-ylethanone
PubChem CID70998653
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-morpholin-4-ylethanone
SMILESO=C(CN1C[C@@H]2C[C@H]1CN2)N1CCOCC1
InChIInChI=1S/C11H19N3O2/c15-11(13-1-3-16-4-2-13)8-14-7-9-5-10(14)6-12-9/h9-10,12H,1-8H2/t9-,10-/m0/s1
InChIKeyFJDCVGXNFOONMI-UWVGGRQHSA-N
XLogP-1.11
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

1-(2,5-diazabicyclo[2.2.1]heptan-2-yl)butan-2-one;ethane
CID 156813535
2-(2,5-diethylpiperazin-1-yl)-1-morpholin-4-ylethanone
CID 64979235
2-(2-methylpiperazin-1-yl)-1-morpholin-4-ylethanone;hydrochloride
CID 119916547
1-morpholin-4-yl-2-[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone
CID 72908755
1-(2-morpholin-4-yl-2-oxoethyl)piperidine-2-carbaldehyde
CID 55100024
tert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate
CID 58735548
2-(2-morpholin-4-yl-2-oxoethyl)-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,4-dione
CID 80725657
1-morpholin-4-yl-2-(2-piperidin-4-ylpyrrolidin-1-yl)ethanone
CID 66271526
2-[1-(2-morpholin-4-yl-2-oxoethyl)azetidin-3-yl]acetic acid
CID 64616071
2-[2-(3-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 120756389
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone
CID 119834264
2-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-1-morpholin-4-ylethanone
CID 94251916

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-morpholin-4-ylethanone (CID 70998653) is 2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-morpholin-4-ylethanone is O=C(CN1C[C@@H]2C[C@H]1CN2)N1CCOCC1.
What is the InChIKey of 2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-morpholin-4-ylethanone?
The InChIKey is FJDCVGXNFOONMI-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H19N3O2/c15-11(13-1-3-16-4-2-13)8-14-7-9-5-10(14)6-12-9/h9-10,12H,1-8H2/t9-,10-/m0/s1.
What are the key properties of 2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-morpholin-4-ylethanone?
2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-morpholin-4-ylethanone has a molecular weight of 225.29 g/mol, XLogP of -1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 70998653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).