3-amino-1-(3-ethoxypiperidin-1-yl)-2-methoxypropan-1-one

C11H22N2O3 — CID 106112639

IUPAC3-amino-1-(3-ethoxypiperidin-1-yl)-2-methoxypropan-1-one
SMILESCCOC1CCCN(C(=O)C(CN)OC)C1
InChIInChI=1S/C11H22N2O3/c1-3-16-9-5-4-6-13(8-9)11(14)10(7-12)15-2/h9-10H,3-8,12H2,1-2H3
InChIKeyIWMHNRAKAMDQJS-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.01
Rot. Bonds5

About 3-amino-1-(3-ethoxypiperidin-1-yl)-2-methoxypropan-1-one

3-amino-1-(3-ethoxypiperidin-1-yl)-2-methoxypropan-1-one (PubChem CID 106112639) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-amino-1-(3-ethoxypiperidin-1-yl)-2-methoxypropan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-ethoxypiperidin-1-yl)-2-methoxypropan-1-one
PubChem CID106112639
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-amino-1-(3-ethoxypiperidin-1-yl)-2-methoxypropan-1-one
SMILESCCOC1CCCN(C(=O)C(CN)OC)C1
InChIInChI=1S/C11H22N2O3/c1-3-16-9-5-4-6-13(8-9)11(14)10(7-12)15-2/h9-10H,3-8,12H2,1-2H3
InChIKeyIWMHNRAKAMDQJS-UHFFFAOYSA-N
XLogP-0.01
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(3-hydroxypiperidin-1-yl)-2-methoxypropan-1-one
CID 106111292
3-amino-1-[3-(dimethylamino)piperidin-1-yl]-2-methoxypropan-1-one
CID 106113073
3-amino-2-methoxy-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 106114088
2-ethoxy-1-(3-ethoxypiperidin-1-yl)propan-1-one
CID 86843747
(2S)-1-[(3R)-3-ethoxypiperidin-1-yl]-2-methylsulfonylpropan-1-one
CID 95191999
3-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide
CID 76926876
2-amino-1-(3-ethoxypiperidin-1-yl)-4-methylsulfonylbutan-1-one
CID 54989954
2-bromo-1-(3-methoxypiperidin-1-yl)butan-1-one
CID 102956877
3-amino-1-(4-hydroxypiperidin-1-yl)-2-methoxypropan-1-one
CID 106111138
2-methoxy-1-(3-propoxypiperidin-1-yl)propan-1-one
CID 112687423
7-amino-1-(3-ethoxypiperidin-1-yl)heptan-1-one
CID 54990000
1-(3-ethoxypiperidin-1-yl)-2-piperazin-1-ylpropan-1-one
CID 54989916

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-ethoxypiperidin-1-yl)-2-methoxypropan-1-one?
The IUPAC name of 3-amino-1-(3-ethoxypiperidin-1-yl)-2-methoxypropan-1-one (CID 106112639) is 3-amino-1-(3-ethoxypiperidin-1-yl)-2-methoxypropan-1-one.
What is the SMILES notation for 3-amino-1-(3-ethoxypiperidin-1-yl)-2-methoxypropan-1-one?
The canonical SMILES for 3-amino-1-(3-ethoxypiperidin-1-yl)-2-methoxypropan-1-one is CCOC1CCCN(C(=O)C(CN)OC)C1.
What is the InChIKey of 3-amino-1-(3-ethoxypiperidin-1-yl)-2-methoxypropan-1-one?
The InChIKey is IWMHNRAKAMDQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-3-16-9-5-4-6-13(8-9)11(14)10(7-12)15-2/h9-10H,3-8,12H2,1-2H3.
What are the key properties of 3-amino-1-(3-ethoxypiperidin-1-yl)-2-methoxypropan-1-one?
3-amino-1-(3-ethoxypiperidin-1-yl)-2-methoxypropan-1-one has a molecular weight of 230.31 g/mol, XLogP of -0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-ethoxypiperidin-1-yl)-2-methoxypropan-1-one is sourced from PubChem (CID 106112639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).