2-(azetidin-3-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone

C12H22N2O — CID 103810444

IUPAC2-(azetidin-3-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)CC1CNC1
InChIInChI=1S/C12H22N2O/c1-9-4-3-5-10(2)14(9)12(15)6-11-7-13-8-11/h9-11,13H,3-8H2,1-2H3/t9-,10+
InChIKeySYFXBIALFQWQOX-AOOOYVTPSA-N
MW210.32 g/mol
LogP1.39
Rot. Bonds2

About 2-(azetidin-3-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone

2-(azetidin-3-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone (PubChem CID 103810444) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
PubChem CID103810444
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-(azetidin-3-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)CC1CNC1
InChIInChI=1S/C12H22N2O/c1-9-4-3-5-10(2)14(9)12(15)6-11-7-13-8-11/h9-11,13H,3-8H2,1-2H3/t9-,10+
InChIKeySYFXBIALFQWQOX-AOOOYVTPSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-1-(2,6-dimethylpiperazin-1-yl)ethanone
CID 63911167
2-cyclohexyl-1-(2,6-dimethylpiperazin-1-yl)ethanone
CID 63909211
2-[4-(aminomethyl)cyclohexyl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 104968929
2-(azetidin-3-yl)-N-(2,6-dimethylpiperidin-1-yl)acetamide
CID 83021754
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one
CID 103715004
2-(azetidin-3-yl)-1-(3-methylpyrrolidin-1-yl)ethanone
CID 64611824
1-(2,6-dimethylpiperidin-1-yl)-2-(3-methylpiperidin-2-yl)ethanone
CID 107147481
1-[(2R,3aS,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-(3-methylcyclohexyl)ethanone
CID 166250727
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-piperazin-1-ylethanone
CID 29008935
1-(azetidin-3-yl)-3-cyclobutylpropan-2-one
CID 116582225
2-[8-[2-(azetidin-3-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79608873
2-(azetidin-3-yl)-1-cyclobutylethanone
CID 116582434

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone?
The IUPAC name of 2-(azetidin-3-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone (CID 103810444) is 2-(azetidin-3-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(azetidin-3-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-(azetidin-3-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone is C[C@@H]1CCC[C@H](C)N1C(=O)CC1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone?
The InChIKey is SYFXBIALFQWQOX-AOOOYVTPSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9-4-3-5-10(2)14(9)12(15)6-11-7-13-8-11/h9-11,13H,3-8H2,1-2H3/t9-,10+.
What are the key properties of 2-(azetidin-3-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone?
2-(azetidin-3-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone has a molecular weight of 210.32 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone is sourced from PubChem (CID 103810444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).