1-(3-methoxypiperidin-1-yl)-2-(methylamino)ethanone

C9H18N2O2 — CID 103809291

IUPAC1-(3-methoxypiperidin-1-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCCC(OC)C1
InChIInChI=1S/C9H18N2O2/c1-10-6-9(12)11-5-3-4-8(7-11)13-2/h8,10H,3-7H2,1-2H3
InChIKeyZSNJGRJJHGNQJP-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.16
Rot. Bonds3

About 1-(3-methoxypiperidin-1-yl)-2-(methylamino)ethanone

1-(3-methoxypiperidin-1-yl)-2-(methylamino)ethanone (PubChem CID 103809291) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(3-methoxypiperidin-1-yl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(3-methoxypiperidin-1-yl)-2-(methylamino)ethanone
PubChem CID103809291
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-(3-methoxypiperidin-1-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCCC(OC)C1
InChIInChI=1S/C9H18N2O2/c1-10-6-9(12)11-5-3-4-8(7-11)13-2/h8,10H,3-7H2,1-2H3
InChIKeyZSNJGRJJHGNQJP-UHFFFAOYSA-N
XLogP-0.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxypyrrolidin-1-yl)-2-(methylamino)ethanone
CID 83628524
2-amino-1-(3-methoxypiperidin-1-yl)ethanone
CID 66564450
1-(3-methoxypiperidin-1-yl)-2-(prop-2-ynylamino)ethanone
CID 102957641
4-[(3S)-3-methoxypiperidin-1-yl]-4-oxobutanoic acid
CID 129412716
4-amino-1-(3-methoxypiperidin-1-yl)pentan-1-one
CID 102957567
(3R)-1-[2-(methylamino)acetyl]piperidine-3-carboxylic acid
CID 81120275
3-[(3-methoxypiperidine-1-carbonyl)amino]butanoic acid
CID 102962940
1-[3-(fluoromethyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 121200961
1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 129496090
1-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 129496088
3-methoxypiperidine-1-carbonyl chloride
CID 102969135
N-[1-[2-(methylamino)acetyl]piperidin-3-yl]acetamide
CID 60947690

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypiperidin-1-yl)-2-(methylamino)ethanone?
The IUPAC name of 1-(3-methoxypiperidin-1-yl)-2-(methylamino)ethanone (CID 103809291) is 1-(3-methoxypiperidin-1-yl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(3-methoxypiperidin-1-yl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(3-methoxypiperidin-1-yl)-2-(methylamino)ethanone is CNCC(=O)N1CCCC(OC)C1.
What is the InChIKey of 1-(3-methoxypiperidin-1-yl)-2-(methylamino)ethanone?
The InChIKey is ZSNJGRJJHGNQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-10-6-9(12)11-5-3-4-8(7-11)13-2/h8,10H,3-7H2,1-2H3.
What are the key properties of 1-(3-methoxypiperidin-1-yl)-2-(methylamino)ethanone?
1-(3-methoxypiperidin-1-yl)-2-(methylamino)ethanone has a molecular weight of 186.25 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypiperidin-1-yl)-2-(methylamino)ethanone is sourced from PubChem (CID 103809291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).