1-(3-hydroxy-3-methylazetidin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one

C13H24N2O2 — CID 107219375

IUPAC1-(3-hydroxy-3-methylazetidin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
SMILESCC1(O)CN(C(=O)C(C)(C)C2CCCNC2)C1
InChIInChI=1S/C13H24N2O2/c1-12(2,10-5-4-6-14-7-10)11(16)15-8-13(3,17)9-15/h10,14,17H,4-9H2,1-3H3
InChIKeySYQWPBMHHAMHKK-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.61
Rot. Bonds2

About 1-(3-hydroxy-3-methylazetidin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one

1-(3-hydroxy-3-methylazetidin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one (PubChem CID 107219375) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(3-hydroxy-3-methylazetidin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-hydroxy-3-methylazetidin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
PubChem CID107219375
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(3-hydroxy-3-methylazetidin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
SMILESCC1(O)CN(C(=O)C(C)(C)C2CCCNC2)C1
InChIInChI=1S/C13H24N2O2/c1-12(2,10-5-4-6-14-7-10)11(16)15-8-13(3,17)9-15/h10,14,17H,4-9H2,1-3H3
InChIKeySYQWPBMHHAMHKK-UHFFFAOYSA-N
XLogP0.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-piperazin-1-yl-2-piperidin-3-ylpropan-1-one
CID 83031141
1-(2,6-dimethylthiomorpholin-4-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 83032479
3-ethyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 83198886
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 112625086
1-(1,1-dioxo-1,4-thiazepan-4-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 103884985
2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperidin-3-ylpropan-1-one
CID 113345683
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 114797524
3-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-3-yl]propanoic acid
CID 83199346
N,2-dimethyl-2-piperidin-3-ylpropanamide
CID 83031239
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 102726190
2-[4-(2-methyl-2-piperidin-3-ylpropanoyl)morpholin-2-yl]acetic acid
CID 83200057
3-methyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 102780306

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-3-methylazetidin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one?
The IUPAC name of 1-(3-hydroxy-3-methylazetidin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one (CID 107219375) is 1-(3-hydroxy-3-methylazetidin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one.
What is the SMILES notation for 1-(3-hydroxy-3-methylazetidin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one?
The canonical SMILES for 1-(3-hydroxy-3-methylazetidin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one is CC1(O)CN(C(=O)C(C)(C)C2CCCNC2)C1.
What is the InChIKey of 1-(3-hydroxy-3-methylazetidin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one?
The InChIKey is SYQWPBMHHAMHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-12(2,10-5-4-6-14-7-10)11(16)15-8-13(3,17)9-15/h10,14,17H,4-9H2,1-3H3.
What are the key properties of 1-(3-hydroxy-3-methylazetidin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one?
1-(3-hydroxy-3-methylazetidin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one has a molecular weight of 240.35 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-3-methylazetidin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one is sourced from PubChem (CID 107219375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).