3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-piperazin-1-ylpropan-1-one

C18H36N2O7 — CID 163402844

IUPAC3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-piperazin-1-ylpropan-1-one
SMILESCOCCOCCOCCOCCOCCOCCC(=O)N1CCNCC1
InChIInChI=1S/C18H36N2O7/c1-22-8-9-24-12-13-26-16-17-27-15-14-25-11-10-23-7-2-18(21)20-5-3-19-4-6-20/h19H,2-17H2,1H3
InChIKeyBFWIQXGKALZQDX-UHFFFAOYSA-N
MW392.49 g/mol
LogP-0.46
Rot. Bonds18

About 3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-piperazin-1-ylpropan-1-one

3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-piperazin-1-ylpropan-1-one (PubChem CID 163402844) has the molecular formula C18H36N2O7 and a molecular weight of 392.49 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-piperazin-1-ylpropan-1-one
PubChem CID163402844
Molecular FormulaC18H36N2O7
Molecular Weight392.49 g/mol
Exact Mass392.25
IUPAC Name3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-piperazin-1-ylpropan-1-one
SMILESCOCCOCCOCCOCCOCCOCCC(=O)N1CCNCC1
InChIInChI=1S/C18H36N2O7/c1-22-8-9-24-12-13-26-16-17-27-15-14-25-11-10-23-7-2-18(21)20-5-3-19-4-6-20/h19H,2-17H2,1H3
InChIKeyBFWIQXGKALZQDX-UHFFFAOYSA-N
XLogP-0.46
TPSA87.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2-methoxyethoxy)propoxy]-1-piperazin-1-ylpropan-1-one
CID 103402655
3-pentoxy-1-piperazin-1-ylpropan-1-one
CID 62544248
3-[2-methoxyethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 62542594
2-[3-(5-methoxypentoxy)propoxy]-1-piperazin-1-ylethanone
CID 168969805
4-[bis(2-methoxyethyl)amino]-1-piperazin-1-ylbutan-1-one
CID 39286712
3-[3-methoxypropyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 62985898
3-methoxy-1-piperidin-1-ylpropan-1-one
CID 15751929
3-[4-(2-methoxyethoxy)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981635
1-[(3R)-3-methylpiperazin-1-yl]-3-propoxypropan-1-one
CID 81427683
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-piperazin-1-ylacetate
CID 104562881
1-piperazin-1-ylbutan-1-one;hydrochloride
CID 67460380
ethane;1-[2-(2-methoxyethoxy)ethyl]piperazine
CID 142390482

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-piperazin-1-ylpropan-1-one (CID 163402844) is 3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-piperazin-1-ylpropan-1-one is COCCOCCOCCOCCOCCOCCC(=O)N1CCNCC1.
What is the InChIKey of 3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-piperazin-1-ylpropan-1-one?
The InChIKey is BFWIQXGKALZQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O7/c1-22-8-9-24-12-13-26-16-17-27-15-14-25-11-10-23-7-2-18(21)20-5-3-19-4-6-20/h19H,2-17H2,1H3.
What are the key properties of 3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-piperazin-1-ylpropan-1-one?
3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-piperazin-1-ylpropan-1-one has a molecular weight of 392.49 g/mol, XLogP of -0.46, 18 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 163402844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).