2-(2-methoxyethoxy)-1-[(3R)-3-methylpiperazin-1-yl]ethanone

C10H20N2O3 — CID 105056363

IUPAC2-(2-methoxyethoxy)-1-[(3R)-3-methylpiperazin-1-yl]ethanone
SMILESCOCCOCC(=O)N1CCN[C@H](C)C1
InChIInChI=1S/C10H20N2O3/c1-9-7-12(4-3-11-9)10(13)8-15-6-5-14-2/h9,11H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyIZPXUJBZHJHWJI-SECBINFHSA-N
MW216.28 g/mol
LogP-0.53
Rot. Bonds5

About 2-(2-methoxyethoxy)-1-[(3R)-3-methylpiperazin-1-yl]ethanone

2-(2-methoxyethoxy)-1-[(3R)-3-methylpiperazin-1-yl]ethanone (PubChem CID 105056363) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-1-[(3R)-3-methylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-1-[(3R)-3-methylpiperazin-1-yl]ethanone
PubChem CID105056363
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-(2-methoxyethoxy)-1-[(3R)-3-methylpiperazin-1-yl]ethanone
SMILESCOCCOCC(=O)N1CCN[C@H](C)C1
InChIInChI=1S/C10H20N2O3/c1-9-7-12(4-3-11-9)10(13)8-15-6-5-14-2/h9,11H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyIZPXUJBZHJHWJI-SECBINFHSA-N
XLogP-0.53
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxyethoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119577158
1-(3-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103806956
1-(3,5-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone
CID 103601586
N-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-1-carboxamide
CID 175748625
1-[(3R)-3-methylpiperazin-1-yl]-3-propoxypropan-1-one
CID 81427683
2-amino-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 130636624
1-[(3S)-3-methylpiperazin-1-yl]butan-1-one
CID 11355735
1-(azepan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 60716245
1-(azocan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 103601645
2-[3-(5-methoxypentoxy)propoxy]-1-piperazin-1-ylethanone
CID 168969805
hydroxymethyl 3-methylpiperazine-1-carboxylate
CID 118679153
1-[2-(2-methoxyethoxy)acetyl]piperidine-3-carboxylic acid
CID 43355934

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-1-[(3R)-3-methylpiperazin-1-yl]ethanone?
The IUPAC name of 2-(2-methoxyethoxy)-1-[(3R)-3-methylpiperazin-1-yl]ethanone (CID 105056363) is 2-(2-methoxyethoxy)-1-[(3R)-3-methylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methoxyethoxy)-1-[(3R)-3-methylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-methoxyethoxy)-1-[(3R)-3-methylpiperazin-1-yl]ethanone is COCCOCC(=O)N1CCN[C@H](C)C1.
What is the InChIKey of 2-(2-methoxyethoxy)-1-[(3R)-3-methylpiperazin-1-yl]ethanone?
The InChIKey is IZPXUJBZHJHWJI-SECBINFHSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-9-7-12(4-3-11-9)10(13)8-15-6-5-14-2/h9,11H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of 2-(2-methoxyethoxy)-1-[(3R)-3-methylpiperazin-1-yl]ethanone?
2-(2-methoxyethoxy)-1-[(3R)-3-methylpiperazin-1-yl]ethanone has a molecular weight of 216.28 g/mol, XLogP of -0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-1-[(3R)-3-methylpiperazin-1-yl]ethanone is sourced from PubChem (CID 105056363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).