2-(2-methoxyethylamino)-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride

C14H29Cl2N3O3 — CID 119899622

IUPAC2-(2-methoxyethylamino)-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride
SMILESCOCCNCC(=O)N1CC(C)C(N2CCOCC2)C1.Cl.Cl
InChIInChI=1S/C14H27N3O3.2ClH/c1-12-10-17(14(18)9-15-3-6-19-2)11-13(12)16-4-7-20-8-5-16;;/h12-13,15H,3-11H2,1-2H3;2*1H
InChIKeyCMULGVURGIQVSF-UHFFFAOYSA-N
MW358.31 g/mol
LogP0.25
Rot. Bonds6

About 2-(2-methoxyethylamino)-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride

2-(2-methoxyethylamino)-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride (PubChem CID 119899622) has the molecular formula C14H29Cl2N3O3 and a molecular weight of 358.31 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride
PubChem CID119899622
Molecular FormulaC14H29Cl2N3O3
Molecular Weight358.31 g/mol
Exact Mass357.16
IUPAC Name2-(2-methoxyethylamino)-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride
SMILESCOCCNCC(=O)N1CC(C)C(N2CCOCC2)C1.Cl.Cl
InChIInChI=1S/C14H27N3O3.2ClH/c1-12-10-17(14(18)9-15-3-6-19-2)11-13(12)16-4-7-20-8-5-16;;/h12-13,15H,3-11H2,1-2H3;2*1H
InChIKeyCMULGVURGIQVSF-UHFFFAOYSA-N
XLogP0.25
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)butan-1-one
CID 119899615
2-(2-methoxyethylamino)-1-(4-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119675101
2-(4-methoxybutylamino)-1-morpholin-4-ylethanone
CID 60975832
2-[3-(2-methoxyethoxy)propylamino]-1-morpholin-4-ylethanone
CID 113219536
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 107217441
(2R)-2-amino-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)propan-1-one
CID 119899591
2-(2-methoxyethylamino)-1-(2-methylthiomorpholin-4-yl)ethanone
CID 115739175
1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 119836738
2-(2-methoxyethylamino)-1-(2-methyl-6-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119751382
2-(2-methoxyethylamino)-1-(3-methyl-4-phenylpiperidin-1-yl)ethanone;hydrochloride
CID 119805743
2-(2-methoxyethylamino)-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103532856
2-(4-aminophenyl)-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)ethanone
CID 119899571

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride (CID 119899622) is 2-(2-methoxyethylamino)-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride is COCCNCC(=O)N1CC(C)C(N2CCOCC2)C1.Cl.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride?
The InChIKey is CMULGVURGIQVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3.2ClH/c1-12-10-17(14(18)9-15-3-6-19-2)11-13(12)16-4-7-20-8-5-16;;/h12-13,15H,3-11H2,1-2H3;2*1H.
What are the key properties of 2-(2-methoxyethylamino)-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride?
2-(2-methoxyethylamino)-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride has a molecular weight of 358.31 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride is sourced from PubChem (CID 119899622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).