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

C12H20N2O — CID 129375092

IUPAC[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-piperidin-4-ylmethanone
SMILESO=C(C1CCNCC1)N1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C12H20N2O/c15-12(10-3-5-13-6-4-10)14-8-9-1-2-11(14)7-9/h9-11,13H,1-8H2/t9-,11-/m0/s1
InChIKeyWSRHWIBUFXGIQM-ONGXEEELSA-N
MW208.30 g/mol
LogP1.00
Rot. Bonds1

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

[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-piperidin-4-ylmethanone (PubChem CID 129375092) 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]-piperidin-4-ylmethanone.

Molecular Properties

Compound Name[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-piperidin-4-ylmethanone
PubChem CID129375092
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-piperidin-4-ylmethanone
SMILESO=C(C1CCNCC1)N1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C12H20N2O/c15-12(10-3-5-13-6-4-10)14-8-9-1-2-11(14)7-9/h9-11,13H,1-8H2/t9-,11-/m0/s1
InChIKeyWSRHWIBUFXGIQM-ONGXEEELSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-azabicyclo[2.2.1]heptan-2-yl(cyclobutyl)methanone
CID 130708819
(3-aminocyclopentyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone
CID 66009836
2-azabicyclo[2.2.1]heptan-2-yl-(1-propan-2-ylpiperidin-4-yl)methanone
CID 89459187
1-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2-piperidin-4-ylethanone
CID 129375093
[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[(2S)-piperidin-2-yl]methanone
CID 129393875
cyclobutyl-[(1R)-3,6-diazabicyclo[3.2.1]octan-6-yl]methanone
CID 67130731
cyclobutyl-[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-6-yl]methanone
CID 58488093
[(1R,5S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(4-hydroxycyclohexyl)methanone;hydrochloride
CID 154908047
piperidin-4-yl-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114593112
(2S,4R)-4-hydroxy-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 63843186
1-(2-azabicyclo[2.2.1]heptan-2-yl)-2,2-difluoroethanone
CID 103515712
1-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one
CID 177023986

Frequently Asked Questions

What is the IUPAC name of [(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-piperidin-4-ylmethanone?
The IUPAC name of [(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-piperidin-4-ylmethanone (CID 129375092) is [(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-piperidin-4-ylmethanone.
What is the SMILES notation for [(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-piperidin-4-ylmethanone?
The canonical SMILES for [(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-piperidin-4-ylmethanone is O=C(C1CCNCC1)N1C[C@H]2CC[C@H]1C2.
What is the InChIKey of [(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-piperidin-4-ylmethanone?
The InChIKey is WSRHWIBUFXGIQM-ONGXEEELSA-N. The full InChI is InChI=1S/C12H20N2O/c15-12(10-3-5-13-6-4-10)14-8-9-1-2-11(14)7-9/h9-11,13H,1-8H2/t9-,11-/m0/s1.
What are the key properties of [(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-piperidin-4-ylmethanone?
[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-piperidin-4-ylmethanone has a molecular weight of 208.30 g/mol, XLogP of 1.00, 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]-piperidin-4-ylmethanone is sourced from PubChem (CID 129375092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).