1-(4-methoxypiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one

C11H22N2O2 — CID 79196326

IUPAC1-(4-methoxypiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
SMILESCNCC(C)C(=O)N1CCC(OC)CC1
InChIInChI=1S/C11H22N2O2/c1-9(8-12-2)11(14)13-6-4-10(15-3)5-7-13/h9-10,12H,4-8H2,1-3H3
InChIKeyGLBINPJFNHVKLY-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.48
Rot. Bonds4

About 1-(4-methoxypiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one

1-(4-methoxypiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one (PubChem CID 79196326) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(4-methoxypiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(4-methoxypiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
PubChem CID79196326
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-(4-methoxypiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
SMILESCNCC(C)C(=O)N1CCC(OC)CC1
InChIInChI=1S/C11H22N2O2/c1-9(8-12-2)11(14)13-6-4-10(15-3)5-7-13/h9-10,12H,4-8H2,1-3H3
InChIKeyGLBINPJFNHVKLY-UHFFFAOYSA-N
XLogP0.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 77474038
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 79201880
2-hydroxy-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 77411608
1-(4-cyclopropylpiperazin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79202628
2-methyl-3-(methylamino)-1-[4-(3-methylbutyl)piperidin-1-yl]propan-1-one
CID 119822280
N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]methanesulfonamide
CID 79201762
N,N-dimethyl-1-[2-methyl-3-(methylamino)propanoyl]piperidine-4-carboxamide
CID 79202506
2-methyl-3-(methylamino)-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 79201986
2-methyl-3-(methylamino)-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119851917
2-methyl-3-(methylamino)-1-thiomorpholin-4-ylpropan-1-one
CID 79196742
1-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 103810683
(2S)-2-amino-1-(4-methoxypiperidin-1-yl)-3-methylbutan-1-one
CID 61155723

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one?
The IUPAC name of 1-(4-methoxypiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one (CID 79196326) is 1-(4-methoxypiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one.
What is the SMILES notation for 1-(4-methoxypiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one?
The canonical SMILES for 1-(4-methoxypiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one is CNCC(C)C(=O)N1CCC(OC)CC1.
What is the InChIKey of 1-(4-methoxypiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one?
The InChIKey is GLBINPJFNHVKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(8-12-2)11(14)13-6-4-10(15-3)5-7-13/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 1-(4-methoxypiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one?
1-(4-methoxypiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one is sourced from PubChem (CID 79196326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).