1-[(1R,5R)-3-oxa-6-azabicyclo[3.1.1]heptan-6-yl]-2-piperidin-4-ylethanone

C12H20N2O2 — CID 129496953

IUPAC1-[(1R,5R)-3-oxa-6-azabicyclo[3.1.1]heptan-6-yl]-2-piperidin-4-ylethanone
SMILESO=C(CC1CCNCC1)N1[C@H]2COC[C@H]1C2
InChIInChI=1S/C12H20N2O2/c15-12(5-9-1-3-13-4-2-9)14-10-6-11(14)8-16-7-10/h9-11,13H,1-8H2/t10-,11-/m1/s1
InChIKeyLCJSAFRKGIHZLI-GHMZBOCLSA-N
MW224.30 g/mol
LogP0.38
Rot. Bonds2

About 1-[(1R,5R)-3-oxa-6-azabicyclo[3.1.1]heptan-6-yl]-2-piperidin-4-ylethanone

1-[(1R,5R)-3-oxa-6-azabicyclo[3.1.1]heptan-6-yl]-2-piperidin-4-ylethanone (PubChem CID 129496953) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-[(1R,5R)-3-oxa-6-azabicyclo[3.1.1]heptan-6-yl]-2-piperidin-4-ylethanone.

Molecular Properties

Compound Name1-[(1R,5R)-3-oxa-6-azabicyclo[3.1.1]heptan-6-yl]-2-piperidin-4-ylethanone
PubChem CID129496953
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-[(1R,5R)-3-oxa-6-azabicyclo[3.1.1]heptan-6-yl]-2-piperidin-4-ylethanone
SMILESO=C(CC1CCNCC1)N1[C@H]2COC[C@H]1C2
InChIInChI=1S/C12H20N2O2/c15-12(5-9-1-3-13-4-2-9)14-10-6-11(14)8-16-7-10/h9-11,13H,1-8H2/t10-,11-/m1/s1
InChIKeyLCJSAFRKGIHZLI-GHMZBOCLSA-N
XLogP0.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(1R,5R)-3-oxa-6-azabicyclo[3.1.1]heptan-6-yl]-2-piperidin-4-ylethanone with MolForge

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Related Compounds

1-[(3aS,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-piperidin-4-ylethanone
CID 129494454
2-amino-1-[(1R,5R)-3-oxa-6-azabicyclo[3.1.1]heptan-6-yl]ethanone
CID 129498292
1-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2-piperidin-4-ylethanone
CID 129375093
1-[4-(oxan-4-yl)piperazin-1-yl]-2-piperidin-4-ylethanone
CID 131933898
2-(methylamino)-1-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)ethanone
CID 121201228
1-[3-(hydroxymethyl)azetidin-1-yl]-2-piperidin-4-ylethanone
CID 107220425
1-(2,6-dimethylmorpholin-4-yl)-2-piperidin-4-ylethanone
CID 24711054
3-oxa-6-azabicyclo[3.1.1]heptan-6-yl(piperidin-3-yl)methanone
CID 121201235
3-oxa-6-azabicyclo[3.1.1]heptane-6-carboxylic acid
CID 176998783
1-(2-piperidin-4-ylacetyl)pyrrolidine-2-carboxamide
CID 43212210
1-(2,4-dimethylpyrrolidin-1-yl)-2-piperidin-4-ylethanone
CID 115740592
2-[8-[2-(azetidin-3-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79608873

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5R)-3-oxa-6-azabicyclo[3.1.1]heptan-6-yl]-2-piperidin-4-ylethanone?
The IUPAC name of 1-[(1R,5R)-3-oxa-6-azabicyclo[3.1.1]heptan-6-yl]-2-piperidin-4-ylethanone (CID 129496953) is 1-[(1R,5R)-3-oxa-6-azabicyclo[3.1.1]heptan-6-yl]-2-piperidin-4-ylethanone.
What is the SMILES notation for 1-[(1R,5R)-3-oxa-6-azabicyclo[3.1.1]heptan-6-yl]-2-piperidin-4-ylethanone?
The canonical SMILES for 1-[(1R,5R)-3-oxa-6-azabicyclo[3.1.1]heptan-6-yl]-2-piperidin-4-ylethanone is O=C(CC1CCNCC1)N1[C@H]2COC[C@H]1C2.
What is the InChIKey of 1-[(1R,5R)-3-oxa-6-azabicyclo[3.1.1]heptan-6-yl]-2-piperidin-4-ylethanone?
The InChIKey is LCJSAFRKGIHZLI-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H20N2O2/c15-12(5-9-1-3-13-4-2-9)14-10-6-11(14)8-16-7-10/h9-11,13H,1-8H2/t10-,11-/m1/s1.
What are the key properties of 1-[(1R,5R)-3-oxa-6-azabicyclo[3.1.1]heptan-6-yl]-2-piperidin-4-ylethanone?
1-[(1R,5R)-3-oxa-6-azabicyclo[3.1.1]heptan-6-yl]-2-piperidin-4-ylethanone has a molecular weight of 224.30 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,5R)-3-oxa-6-azabicyclo[3.1.1]heptan-6-yl]-2-piperidin-4-ylethanone is sourced from PubChem (CID 129496953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).