1-(2,5-diethylpiperazin-1-yl)-2-(3-ethoxycyclobutyl)ethanone

C16H30N2O2 — CID 103164983

IUPAC1-(2,5-diethylpiperazin-1-yl)-2-(3-ethoxycyclobutyl)ethanone
SMILESCCOC1CC(CC(=O)N2CC(CC)NCC2CC)C1
InChIInChI=1S/C16H30N2O2/c1-4-13-11-18(14(5-2)10-17-13)16(19)9-12-7-15(8-12)20-6-3/h12-15,17H,4-11H2,1-3H3
InChIKeyBRXMXXFLYHEONN-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.18
Rot. Bonds6

About 1-(2,5-diethylpiperazin-1-yl)-2-(3-ethoxycyclobutyl)ethanone

1-(2,5-diethylpiperazin-1-yl)-2-(3-ethoxycyclobutyl)ethanone (PubChem CID 103164983) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(2,5-diethylpiperazin-1-yl)-2-(3-ethoxycyclobutyl)ethanone.

Molecular Properties

Compound Name1-(2,5-diethylpiperazin-1-yl)-2-(3-ethoxycyclobutyl)ethanone
PubChem CID103164983
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-(2,5-diethylpiperazin-1-yl)-2-(3-ethoxycyclobutyl)ethanone
SMILESCCOC1CC(CC(=O)N2CC(CC)NCC2CC)C1
InChIInChI=1S/C16H30N2O2/c1-4-13-11-18(14(5-2)10-17-13)16(19)9-12-7-15(8-12)20-6-3/h12-15,17H,4-11H2,1-3H3
InChIKeyBRXMXXFLYHEONN-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-1-(2,5-diethylpiperazin-1-yl)ethanone
CID 64978349
1-(2,5-diethylpiperazin-1-yl)butan-1-one
CID 64977925
1-(2,5-diethylpiperazin-1-yl)octan-1-one
CID 64978357
2-(4-bromophenyl)-1-(2,5-diethylpiperazin-1-yl)ethanone
CID 64977891
1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-(3-ethoxycyclobutyl)ethanone
CID 103165065
2-(3-ethoxycyclobutyl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 103164675
cyclopent-3-en-1-yl-(2,5-diethylpiperazin-1-yl)methanone
CID 64978451
cyclobutyl-(2,5-diethylpiperazin-1-yl)methanone
CID 64978279
2-(3-ethoxycyclobutyl)-1-(3-methylpiperazin-1-yl)ethanone
CID 103162209
1-(2,5-diethylpiperazin-1-yl)-3-phenoxypropan-1-one
CID 64978524
1-(2,5-diethylpiperazin-1-yl)-2-thiophen-3-ylethanone
CID 64978280
azepan-1-yl-(2,5-diethylpiperazin-1-yl)methanone
CID 79152036

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diethylpiperazin-1-yl)-2-(3-ethoxycyclobutyl)ethanone?
The IUPAC name of 1-(2,5-diethylpiperazin-1-yl)-2-(3-ethoxycyclobutyl)ethanone (CID 103164983) is 1-(2,5-diethylpiperazin-1-yl)-2-(3-ethoxycyclobutyl)ethanone.
What is the SMILES notation for 1-(2,5-diethylpiperazin-1-yl)-2-(3-ethoxycyclobutyl)ethanone?
The canonical SMILES for 1-(2,5-diethylpiperazin-1-yl)-2-(3-ethoxycyclobutyl)ethanone is CCOC1CC(CC(=O)N2CC(CC)NCC2CC)C1.
What is the InChIKey of 1-(2,5-diethylpiperazin-1-yl)-2-(3-ethoxycyclobutyl)ethanone?
The InChIKey is BRXMXXFLYHEONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-4-13-11-18(14(5-2)10-17-13)16(19)9-12-7-15(8-12)20-6-3/h12-15,17H,4-11H2,1-3H3.
What are the key properties of 1-(2,5-diethylpiperazin-1-yl)-2-(3-ethoxycyclobutyl)ethanone?
1-(2,5-diethylpiperazin-1-yl)-2-(3-ethoxycyclobutyl)ethanone has a molecular weight of 282.43 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diethylpiperazin-1-yl)-2-(3-ethoxycyclobutyl)ethanone is sourced from PubChem (CID 103164983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).