[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[(2S)-piperidin-2-yl]methanone

C12H20N2O — CID 129393875

IUPAC[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[(2S)-piperidin-2-yl]methanone
SMILESO=C([C@@H]1CCCCN1)N1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C12H20N2O/c15-12(11-3-1-2-6-13-11)14-8-9-4-5-10(14)7-9/h9-11,13H,1-8H2/t9-,10-,11-/m0/s1
InChIKeyFNAGLQIGMQABMY-DCAQKATOSA-N
MW208.30 g/mol
LogP1.14
Rot. Bonds1

About [(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[(2S)-piperidin-2-yl]methanone

[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[(2S)-piperidin-2-yl]methanone (PubChem CID 129393875) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is [(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[(2S)-piperidin-2-yl]methanone.

Molecular Properties

Compound Name[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[(2S)-piperidin-2-yl]methanone
PubChem CID129393875
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[(2S)-piperidin-2-yl]methanone
SMILESO=C([C@@H]1CCCCN1)N1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C12H20N2O/c15-12(11-3-1-2-6-13-11)14-8-9-4-5-10(14)7-9/h9-11,13H,1-8H2/t9-,10-,11-/m0/s1
InChIKeyFNAGLQIGMQABMY-DCAQKATOSA-N
XLogP1.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[(2S)-piperidin-2-yl]methanone with MolForge

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Related Compounds

[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-piperidin-4-ylmethanone
CID 129375092
2-azabicyclo[2.2.1]heptan-2-yl-[5-(trifluoromethyl)piperidin-2-yl]methanone
CID 114908734
(2S,4R)-4-hydroxy-1-(piperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 63844034
(2,5-dimethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 104914142
(2,5-dimethylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 104914141
(3-hydroxyazetidin-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 107217589
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl(piperidin-2-yl)methanone
CID 119326244
(3-hydroxyazetidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 107217621
(2-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 90464822
(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[(2R)-piperidin-2-yl]methanone
CID 113267598
(2R)-1-(piperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 78923169
[(2R)-azepan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 124507947

Frequently Asked Questions

What is the IUPAC name of [(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[(2S)-piperidin-2-yl]methanone?
The IUPAC name of [(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[(2S)-piperidin-2-yl]methanone (CID 129393875) is [(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[(2S)-piperidin-2-yl]methanone.
What is the SMILES notation for [(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[(2S)-piperidin-2-yl]methanone?
The canonical SMILES for [(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[(2S)-piperidin-2-yl]methanone is O=C([C@@H]1CCCCN1)N1C[C@H]2CC[C@H]1C2.
What is the InChIKey of [(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[(2S)-piperidin-2-yl]methanone?
The InChIKey is FNAGLQIGMQABMY-DCAQKATOSA-N. The full InChI is InChI=1S/C12H20N2O/c15-12(11-3-1-2-6-13-11)14-8-9-4-5-10(14)7-9/h9-11,13H,1-8H2/t9-,10-,11-/m0/s1.
What are the key properties of [(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[(2S)-piperidin-2-yl]methanone?
[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[(2S)-piperidin-2-yl]methanone has a molecular weight of 208.30 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[(2S)-piperidin-2-yl]methanone is sourced from PubChem (CID 129393875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).