3-[bis(2-ethoxyethyl)amino]-1-piperazin-1-ylpropan-1-one

C15H31N3O3 — CID 82960429

IUPAC3-[bis(2-ethoxyethyl)amino]-1-piperazin-1-ylpropan-1-one
SMILESCCOCCN(CCOCC)CCC(=O)N1CCNCC1
InChIInChI=1S/C15H31N3O3/c1-3-20-13-11-17(12-14-21-4-2)8-5-15(19)18-9-6-16-7-10-18/h16H,3-14H2,1-2H3
InChIKeyFWEYIVHHXPIZDX-UHFFFAOYSA-N
MW301.43 g/mol
LogP0.18
Rot. Bonds11

About 3-[bis(2-ethoxyethyl)amino]-1-piperazin-1-ylpropan-1-one

3-[bis(2-ethoxyethyl)amino]-1-piperazin-1-ylpropan-1-one (PubChem CID 82960429) has the molecular formula C15H31N3O3 and a molecular weight of 301.43 g/mol. Its IUPAC name is 3-[bis(2-ethoxyethyl)amino]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[bis(2-ethoxyethyl)amino]-1-piperazin-1-ylpropan-1-one
PubChem CID82960429
Molecular FormulaC15H31N3O3
Molecular Weight301.43 g/mol
Exact Mass301.24
IUPAC Name3-[bis(2-ethoxyethyl)amino]-1-piperazin-1-ylpropan-1-one
SMILESCCOCCN(CCOCC)CCC(=O)N1CCNCC1
InChIInChI=1S/C15H31N3O3/c1-3-20-13-11-17(12-14-21-4-2)8-5-15(19)18-9-6-16-7-10-18/h16H,3-14H2,1-2H3
InChIKeyFWEYIVHHXPIZDX-UHFFFAOYSA-N
XLogP0.18
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 50.18
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-(dipropylamino)-1-piperazin-1-ylpropan-1-one
CID 39255849
4-[bis(2-methoxyethyl)amino]-1-piperazin-1-ylbutan-1-one
CID 39286712
1-(1,4-diazepan-1-yl)-2-(2-ethoxyethoxy)ethanone;hydrochloride
CID 119415045
3-[2-methoxyethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 62542594
ethyl 3-[2-ethoxyethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 151749760
3-[ethyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 55085623
4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)butanamide
CID 78918540
3-[3-methoxypropyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 62985898
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-propoxyacetamide
CID 103805857
3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-piperazin-1-ylpropan-1-one
CID 163402844
1-piperazin-1-ylbutan-1-one;hydrochloride
CID 67460380
3-pentoxy-1-piperazin-1-ylpropan-1-one
CID 62544248

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-ethoxyethyl)amino]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-[bis(2-ethoxyethyl)amino]-1-piperazin-1-ylpropan-1-one (CID 82960429) is 3-[bis(2-ethoxyethyl)amino]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-[bis(2-ethoxyethyl)amino]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-[bis(2-ethoxyethyl)amino]-1-piperazin-1-ylpropan-1-one is CCOCCN(CCOCC)CCC(=O)N1CCNCC1.
What is the InChIKey of 3-[bis(2-ethoxyethyl)amino]-1-piperazin-1-ylpropan-1-one?
The InChIKey is FWEYIVHHXPIZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O3/c1-3-20-13-11-17(12-14-21-4-2)8-5-15(19)18-9-6-16-7-10-18/h16H,3-14H2,1-2H3.
What are the key properties of 3-[bis(2-ethoxyethyl)amino]-1-piperazin-1-ylpropan-1-one?
3-[bis(2-ethoxyethyl)amino]-1-piperazin-1-ylpropan-1-one has a molecular weight of 301.43 g/mol, XLogP of 0.18, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-ethoxyethyl)amino]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82960429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).