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

C13H26N2O4 — CID 103402655

IUPAC3-[3-(2-methoxyethoxy)propoxy]-1-piperazin-1-ylpropan-1-one
SMILESCOCCOCCCOCCC(=O)N1CCNCC1
InChIInChI=1S/C13H26N2O4/c1-17-11-12-19-9-2-8-18-10-3-13(16)15-6-4-14-5-7-15/h14H,2-12H2,1H3
InChIKeyZDUYYQKJLKOYKW-UHFFFAOYSA-N
MW274.36 g/mol
LogP-0.12
Rot. Bonds10

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

3-[3-(2-methoxyethoxy)propoxy]-1-piperazin-1-ylpropan-1-one (PubChem CID 103402655) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-[3-(2-methoxyethoxy)propoxy]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[3-(2-methoxyethoxy)propoxy]-1-piperazin-1-ylpropan-1-one
PubChem CID103402655
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name3-[3-(2-methoxyethoxy)propoxy]-1-piperazin-1-ylpropan-1-one
SMILESCOCCOCCCOCCC(=O)N1CCNCC1
InChIInChI=1S/C13H26N2O4/c1-17-11-12-19-9-2-8-18-10-3-13(16)15-6-4-14-5-7-15/h14H,2-12H2,1H3
InChIKeyZDUYYQKJLKOYKW-UHFFFAOYSA-N
XLogP-0.12
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 5-0.12
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-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-piperazin-1-ylpropan-1-one
CID 163402844
3-pentoxy-1-piperazin-1-ylpropan-1-one
CID 62544248
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-[2-methoxyethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 62542594
3-[4-(2-methoxyethoxy)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981635
1,10-di(piperazin-1-yl)decane-1,10-dione
CID 19981244
3-methoxy-1-piperidin-1-ylpropan-1-one
CID 15751929
4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)butanamide
CID 78918540
1-[(3R)-3-methylpiperazin-1-yl]-3-propoxypropan-1-one
CID 81427683
1-[2-[3-(2-methoxyethoxy)propoxy]acetyl]piperidine-4-carboxylic acid
CID 103400775

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyethoxy)propoxy]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-[3-(2-methoxyethoxy)propoxy]-1-piperazin-1-ylpropan-1-one (CID 103402655) is 3-[3-(2-methoxyethoxy)propoxy]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-[3-(2-methoxyethoxy)propoxy]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-[3-(2-methoxyethoxy)propoxy]-1-piperazin-1-ylpropan-1-one is COCCOCCCOCCC(=O)N1CCNCC1.
What is the InChIKey of 3-[3-(2-methoxyethoxy)propoxy]-1-piperazin-1-ylpropan-1-one?
The InChIKey is ZDUYYQKJLKOYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-17-11-12-19-9-2-8-18-10-3-13(16)15-6-4-14-5-7-15/h14H,2-12H2,1H3.
What are the key properties of 3-[3-(2-methoxyethoxy)propoxy]-1-piperazin-1-ylpropan-1-one?
3-[3-(2-methoxyethoxy)propoxy]-1-piperazin-1-ylpropan-1-one has a molecular weight of 274.36 g/mol, XLogP of -0.12, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyethoxy)propoxy]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 103402655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).