3-methyl-1-[3-[(1-methylpiperidin-4-yl)oxymethyl]azetidin-1-yl]butan-2-one

C15H28N2O2 — CID 171799934

IUPAC3-methyl-1-[3-[(1-methylpiperidin-4-yl)oxymethyl]azetidin-1-yl]butan-2-one
SMILESCC(C)C(=O)CN1CC(COC2CCN(C)CC2)C1
InChIInChI=1S/C15H28N2O2/c1-12(2)15(18)10-17-8-13(9-17)11-19-14-4-6-16(3)7-5-14/h12-14H,4-11H2,1-3H3
InChIKeyDYIITTWLHVZGAL-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.25
Rot. Bonds6

About 3-methyl-1-[3-[(1-methylpiperidin-4-yl)oxymethyl]azetidin-1-yl]butan-2-one

3-methyl-1-[3-[(1-methylpiperidin-4-yl)oxymethyl]azetidin-1-yl]butan-2-one (PubChem CID 171799934) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-methyl-1-[3-[(1-methylpiperidin-4-yl)oxymethyl]azetidin-1-yl]butan-2-one.

Molecular Properties

Compound Name3-methyl-1-[3-[(1-methylpiperidin-4-yl)oxymethyl]azetidin-1-yl]butan-2-one
PubChem CID171799934
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-methyl-1-[3-[(1-methylpiperidin-4-yl)oxymethyl]azetidin-1-yl]butan-2-one
SMILESCC(C)C(=O)CN1CC(COC2CCN(C)CC2)C1
InChIInChI=1S/C15H28N2O2/c1-12(2)15(18)10-17-8-13(9-17)11-19-14-4-6-16(3)7-5-14/h12-14H,4-11H2,1-3H3
InChIKeyDYIITTWLHVZGAL-UHFFFAOYSA-N
XLogP1.25
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methoxypiperidin-1-yl)-3-methylbutan-2-one
CID 79395912
3,3-Dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]butan-2-one
CID 165376632
3,3-Dimethyl-1-(4-propan-2-yloxypiperidin-1-yl)butan-2-one
CID 169289788
3-Methyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-2-one
CID 171799915
Ethane;1-[4-[(1-methylazetidin-3-yl)methoxy]piperidin-1-yl]propan-2-one
CID 171800197
1-[4-[4-(Dimethylamino)butan-2-yloxymethyl]piperidin-1-yl]-3-methylbutan-2-one
CID 171800204
1-[1-(3-Methyl-2-oxobutyl)piperidin-4-yl]oxypentan-3-one
CID 176576305
3-Methyl-1-[1-(2-oxobutyl)piperidin-4-yl]oxybutan-2-one
CID 176576355
Ethane;3-methyl-1-[4-(2-oxopropoxy)piperidin-1-yl]butan-2-one
CID 176577146
1-[4-[2-[Ethyl(methyl)amino]ethoxy]piperidin-1-yl]-3-methylbutan-2-one
CID 176579197
3-Methyl-1-[4-(3-methyl-2-oxobutoxy)piperidin-1-yl]butan-2-one
CID 176581406
1-(4-Ethoxypiperidin-1-yl)-3,3-dimethylbutan-2-one
CID 61216134

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-[(1-methylpiperidin-4-yl)oxymethyl]azetidin-1-yl]butan-2-one?
The IUPAC name of 3-methyl-1-[3-[(1-methylpiperidin-4-yl)oxymethyl]azetidin-1-yl]butan-2-one (CID 171799934) is 3-methyl-1-[3-[(1-methylpiperidin-4-yl)oxymethyl]azetidin-1-yl]butan-2-one.
What is the SMILES notation for 3-methyl-1-[3-[(1-methylpiperidin-4-yl)oxymethyl]azetidin-1-yl]butan-2-one?
The canonical SMILES for 3-methyl-1-[3-[(1-methylpiperidin-4-yl)oxymethyl]azetidin-1-yl]butan-2-one is CC(C)C(=O)CN1CC(COC2CCN(C)CC2)C1.
What is the InChIKey of 3-methyl-1-[3-[(1-methylpiperidin-4-yl)oxymethyl]azetidin-1-yl]butan-2-one?
The InChIKey is DYIITTWLHVZGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(2)15(18)10-17-8-13(9-17)11-19-14-4-6-16(3)7-5-14/h12-14H,4-11H2,1-3H3.
What are the key properties of 3-methyl-1-[3-[(1-methylpiperidin-4-yl)oxymethyl]azetidin-1-yl]butan-2-one?
3-methyl-1-[3-[(1-methylpiperidin-4-yl)oxymethyl]azetidin-1-yl]butan-2-one has a molecular weight of 268.40 g/mol, XLogP of 1.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-[(1-methylpiperidin-4-yl)oxymethyl]azetidin-1-yl]butan-2-one is sourced from PubChem (CID 171799934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).