1-(3-methoxypiperidin-3-yl)ethanone

C8H15NO2 — CID 165465441

IUPAC1-(3-methoxypiperidin-3-yl)ethanone
SMILESCOC1(C(C)=O)CCCNC1
InChIInChI=1S/C8H15NO2/c1-7(10)8(11-2)4-3-5-9-6-8/h9H,3-6H2,1-2H3
InChIKeyHHAXJYQKKJFIFV-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.34
Rot. Bonds2

About 1-(3-methoxypiperidin-3-yl)ethanone

1-(3-methoxypiperidin-3-yl)ethanone (PubChem CID 165465441) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-(3-methoxypiperidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(3-methoxypiperidin-3-yl)ethanone
PubChem CID165465441
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-(3-methoxypiperidin-3-yl)ethanone
SMILESCOC1(C(C)=O)CCCNC1
InChIInChI=1S/C8H15NO2/c1-7(10)8(11-2)4-3-5-9-6-8/h9H,3-6H2,1-2H3
InChIKeyHHAXJYQKKJFIFV-UHFFFAOYSA-N
XLogP0.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-methoxypiperidine-3-carboxylate
CID 165438540
1-(1-methoxycycloheptyl)ethanone
CID 83225564
methyl (3S)-3-methylpiperidine-3-carboxylate
CID 52644166
methyl (3R)-3-hydroxypiperidine-3-carboxylate
CID 86334558
methyl 2,8-diazaspiro[3.5]nonane-2-carboxylate
CID 83906845
1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone
CID 83226150
1-(1-methoxycyclopentyl)-3-methylbut-2-en-1-one
CID 104610255
1-(1-methoxycyclopentyl)-2-methylpropan-1-one
CID 104610067
1-[(3R)-3-hydroxypyrrolidin-3-yl]ethanone
CID 167202953
2-methoxy-1-(1-methoxycyclopentyl)ethanone
CID 104610256
1-(1-methoxycyclooctyl)propan-1-one
CID 83225194
3-(methoxymethyl)piperidine-3-carboxylic acid;hydrochloride
CID 122163546

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypiperidin-3-yl)ethanone?
The IUPAC name of 1-(3-methoxypiperidin-3-yl)ethanone (CID 165465441) is 1-(3-methoxypiperidin-3-yl)ethanone.
What is the SMILES notation for 1-(3-methoxypiperidin-3-yl)ethanone?
The canonical SMILES for 1-(3-methoxypiperidin-3-yl)ethanone is COC1(C(C)=O)CCCNC1.
What is the InChIKey of 1-(3-methoxypiperidin-3-yl)ethanone?
The InChIKey is HHAXJYQKKJFIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7(10)8(11-2)4-3-5-9-6-8/h9H,3-6H2,1-2H3.
What are the key properties of 1-(3-methoxypiperidin-3-yl)ethanone?
1-(3-methoxypiperidin-3-yl)ethanone has a molecular weight of 157.21 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypiperidin-3-yl)ethanone is sourced from PubChem (CID 165465441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).