2-(azetidin-3-yl)-1-(2,5-dimethylpiperidin-1-yl)propan-1-one

C13H24N2O — CID 116678246

IUPAC2-(azetidin-3-yl)-1-(2,5-dimethylpiperidin-1-yl)propan-1-one
SMILESCC1CCC(C)N(C(=O)C(C)C2CNC2)C1
InChIInChI=1S/C13H24N2O/c1-9-4-5-10(2)15(8-9)13(16)11(3)12-6-14-7-12/h9-12,14H,4-8H2,1-3H3
InChIKeySAWKSUYCWQGQPR-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.49
Rot. Bonds2

About 2-(azetidin-3-yl)-1-(2,5-dimethylpiperidin-1-yl)propan-1-one

2-(azetidin-3-yl)-1-(2,5-dimethylpiperidin-1-yl)propan-1-one (PubChem CID 116678246) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-(2,5-dimethylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-(2,5-dimethylpiperidin-1-yl)propan-1-one
PubChem CID116678246
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-(azetidin-3-yl)-1-(2,5-dimethylpiperidin-1-yl)propan-1-one
SMILESCC1CCC(C)N(C(=O)C(C)C2CNC2)C1
InChIInChI=1S/C13H24N2O/c1-9-4-5-10(2)15(8-9)13(16)11(3)12-6-14-7-12/h9-12,14H,4-8H2,1-3H3
InChIKeySAWKSUYCWQGQPR-UHFFFAOYSA-N
XLogP1.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azetidin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 116674207
2-(azetidin-3-yl)-1-(4-methylazepan-1-yl)propan-1-one
CID 116677899
2-(azetidin-3-yl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 107218055
2-(azetidin-3-yl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 107217840
2-amino-1-(2,5-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 77077441
1-[2-(azetidin-3-yl)propanoyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 116674954
2-(azetidin-3-yl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 116674562
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(azetidin-3-yl)propan-1-one
CID 116676460
1-[(2S,5R)-2,5-dimethylpiperidin-1-yl]-3-methylbutan-1-one
CID 118357209
2-(azetidin-3-yl)-1-(2-methylmorpholin-4-yl)propan-1-one
CID 116674265
2-amino-1-(2,5-dimethylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119328145
1-(2,5-dimethylpiperidin-1-yl)ethanone;ethane
CID 156753838

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-(2,5-dimethylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-(azetidin-3-yl)-1-(2,5-dimethylpiperidin-1-yl)propan-1-one (CID 116678246) is 2-(azetidin-3-yl)-1-(2,5-dimethylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(azetidin-3-yl)-1-(2,5-dimethylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-(azetidin-3-yl)-1-(2,5-dimethylpiperidin-1-yl)propan-1-one is CC1CCC(C)N(C(=O)C(C)C2CNC2)C1.
What is the InChIKey of 2-(azetidin-3-yl)-1-(2,5-dimethylpiperidin-1-yl)propan-1-one?
The InChIKey is SAWKSUYCWQGQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-9-4-5-10(2)15(8-9)13(16)11(3)12-6-14-7-12/h9-12,14H,4-8H2,1-3H3.
What are the key properties of 2-(azetidin-3-yl)-1-(2,5-dimethylpiperidin-1-yl)propan-1-one?
2-(azetidin-3-yl)-1-(2,5-dimethylpiperidin-1-yl)propan-1-one has a molecular weight of 224.35 g/mol, XLogP of 1.49, 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-(2,5-dimethylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 116678246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).