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

C11H21NO3 — CID 107507197

IUPAC1-(3-ethoxypiperidin-1-yl)-3-methoxypropan-2-one
SMILESCCOC1CCCN(CC(=O)COC)C1
InChIInChI=1S/C11H21NO3/c1-3-15-11-5-4-6-12(8-11)7-10(13)9-14-2/h11H,3-9H2,1-2H3
InChIKeyADSDWFOOFPMEBG-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.70
Rot. Bonds6

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

1-(3-ethoxypiperidin-1-yl)-3-methoxypropan-2-one (PubChem CID 107507197) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 1-(3-ethoxypiperidin-1-yl)-3-methoxypropan-2-one.

Molecular Properties

Compound Name1-(3-ethoxypiperidin-1-yl)-3-methoxypropan-2-one
PubChem CID107507197
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name1-(3-ethoxypiperidin-1-yl)-3-methoxypropan-2-one
SMILESCCOC1CCCN(CC(=O)COC)C1
InChIInChI=1S/C11H21NO3/c1-3-15-11-5-4-6-12(8-11)7-10(13)9-14-2/h11H,3-9H2,1-2H3
InChIKeyADSDWFOOFPMEBG-UHFFFAOYSA-N
XLogP0.70
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-3-(3-propoxypiperidin-1-yl)propan-2-one
CID 107507196
1-(3-ethoxypiperidin-1-yl)butan-2-one
CID 62040575
1-[3-(dimethylamino)pyrrolidin-1-yl]-3-methoxypropan-2-one
CID 107507402
1-methoxy-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-one
CID 107507405
N-[2-[(3-ethoxypiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine
CID 103069929
2-amino-2-cyclopropyl-3-(3-ethoxypiperidin-1-yl)propanoic acid
CID 63916274
1-(4-aminopiperidin-1-yl)-3-methoxypropan-2-one
CID 116593221
2-(3-ethoxypiperidin-1-yl)-3-methoxypropanoic acid
CID 103224650
3-(3-ethoxypiperidin-1-yl)-2,2-dimethylpropanal
CID 62277964
2-(3-methoxypiperidin-1-yl)-N-methylacetamide
CID 130708427
cyclobutyl-(3-ethoxypiperidin-1-yl)methanone
CID 46153649
2-(cyclopropylamino)-4-(3-ethoxypiperidin-1-yl)butanamide
CID 63053798

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypiperidin-1-yl)-3-methoxypropan-2-one?
The IUPAC name of 1-(3-ethoxypiperidin-1-yl)-3-methoxypropan-2-one (CID 107507197) is 1-(3-ethoxypiperidin-1-yl)-3-methoxypropan-2-one.
What is the SMILES notation for 1-(3-ethoxypiperidin-1-yl)-3-methoxypropan-2-one?
The canonical SMILES for 1-(3-ethoxypiperidin-1-yl)-3-methoxypropan-2-one is CCOC1CCCN(CC(=O)COC)C1.
What is the InChIKey of 1-(3-ethoxypiperidin-1-yl)-3-methoxypropan-2-one?
The InChIKey is ADSDWFOOFPMEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-15-11-5-4-6-12(8-11)7-10(13)9-14-2/h11H,3-9H2,1-2H3.
What are the key properties of 1-(3-ethoxypiperidin-1-yl)-3-methoxypropan-2-one?
1-(3-ethoxypiperidin-1-yl)-3-methoxypropan-2-one has a molecular weight of 215.29 g/mol, XLogP of 0.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypiperidin-1-yl)-3-methoxypropan-2-one is sourced from PubChem (CID 107507197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).