1-(3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone

C12H24N2O2 — CID 79281129

IUPAC1-(3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)N1CCCC(C)(C)C1
InChIInChI=1S/C12H24N2O2/c1-12(2)5-4-7-14(10-12)11(15)9-13-6-8-16-3/h13H,4-10H2,1-3H3
InChIKeyDDVJYYFMOYOWGX-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.87
Rot. Bonds5

About 1-(3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone

1-(3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone (PubChem CID 79281129) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone.

Molecular Properties

Compound Name1-(3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
PubChem CID79281129
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-(3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)N1CCCC(C)(C)C1
InChIInChI=1S/C12H24N2O2/c1-12(2)5-4-7-14(10-12)11(15)9-13-6-8-16-3/h13H,4-10H2,1-3H3
InChIKeyDDVJYYFMOYOWGX-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 119734708
1-(3-ethyl-3-methylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 119789092
1-(2,2-dimethylmorpholin-4-yl)-2-(2-methoxyethylamino)ethanone
CID 79282191
1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79281707
1-[2-(2-methoxyethylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981476
2-(2-methoxyethylamino)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 79281462
1-(3,3-dimethylpiperidin-1-yl)-2-(prop-2-enylamino)ethanone
CID 79280233
2-(2-methoxyethylamino)-1-(1,4-thiazepan-4-yl)ethanone
CID 79282673
1-(3-ethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79281481
2-(2-methoxyethylamino)-1-(4-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119675101
2-(cyclopropylmethylamino)-1-(4,4-dimethylazepan-1-yl)ethanone
CID 65280938
ethyl 4-[2-(2-methoxyethylamino)acetyl]piperazine-1-carboxylate
CID 71628424

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone?
The IUPAC name of 1-(3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone (CID 79281129) is 1-(3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone.
What is the SMILES notation for 1-(3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone?
The canonical SMILES for 1-(3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone is COCCNCC(=O)N1CCCC(C)(C)C1.
What is the InChIKey of 1-(3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone?
The InChIKey is DDVJYYFMOYOWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2)5-4-7-14(10-12)11(15)9-13-6-8-16-3/h13H,4-10H2,1-3H3.
What are the key properties of 1-(3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone?
1-(3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone has a molecular weight of 228.34 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone is sourced from PubChem (CID 79281129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).