2-(3-ethoxycyclobutyl)-1-(3-methylpiperazin-1-yl)ethanone

C13H24N2O2 — CID 103162209

IUPAC2-(3-ethoxycyclobutyl)-1-(3-methylpiperazin-1-yl)ethanone
SMILESCCOC1CC(CC(=O)N2CCNC(C)C2)C1
InChIInChI=1S/C13H24N2O2/c1-3-17-12-6-11(7-12)8-13(16)15-5-4-14-10(2)9-15/h10-12,14H,3-9H2,1-2H3
InChIKeyKMNIMXHTLZIKPA-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.01
Rot. Bonds4

About 2-(3-ethoxycyclobutyl)-1-(3-methylpiperazin-1-yl)ethanone

2-(3-ethoxycyclobutyl)-1-(3-methylpiperazin-1-yl)ethanone (PubChem CID 103162209) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(3-ethoxycyclobutyl)-1-(3-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-ethoxycyclobutyl)-1-(3-methylpiperazin-1-yl)ethanone
PubChem CID103162209
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(3-ethoxycyclobutyl)-1-(3-methylpiperazin-1-yl)ethanone
SMILESCCOC1CC(CC(=O)N2CCNC(C)C2)C1
InChIInChI=1S/C13H24N2O2/c1-3-17-12-6-11(7-12)8-13(16)15-5-4-14-10(2)9-15/h10-12,14H,3-9H2,1-2H3
InChIKeyKMNIMXHTLZIKPA-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103165089
1-(3-chloropyrrolidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103166618
2-(3-ethoxycyclobutyl)-1-piperidin-1-ylethanone
CID 103164590
2-(3-ethoxycyclobutyl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 103164675
1-[2-(3-ethoxycyclobutyl)acetyl]pyrrolidine-3-carboxylic acid
CID 103161885
1-(3-methylpiperazin-1-yl)-2-(thian-4-yl)ethanone
CID 83145896
1-(3-methylpiperazin-1-yl)-2-(3,3,5-trimethylcyclohexyl)ethanone
CID 119580838
2-(3-ethoxycyclobutyl)-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 103161328
2-(2-ethoxyethoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119577158
1-[3-(chloromethyl)piperidin-1-yl]-2-(3-ethoxycyclobutyl)ethanone
CID 103166602
1-(3-methylpiperazin-1-yl)-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride
CID 119580837
1-[(3S)-3-methylpiperazin-1-yl]butan-1-one
CID 11355735

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycyclobutyl)-1-(3-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3-ethoxycyclobutyl)-1-(3-methylpiperazin-1-yl)ethanone (CID 103162209) is 2-(3-ethoxycyclobutyl)-1-(3-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3-ethoxycyclobutyl)-1-(3-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3-ethoxycyclobutyl)-1-(3-methylpiperazin-1-yl)ethanone is CCOC1CC(CC(=O)N2CCNC(C)C2)C1.
What is the InChIKey of 2-(3-ethoxycyclobutyl)-1-(3-methylpiperazin-1-yl)ethanone?
The InChIKey is KMNIMXHTLZIKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-17-12-6-11(7-12)8-13(16)15-5-4-14-10(2)9-15/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 2-(3-ethoxycyclobutyl)-1-(3-methylpiperazin-1-yl)ethanone?
2-(3-ethoxycyclobutyl)-1-(3-methylpiperazin-1-yl)ethanone has a molecular weight of 240.35 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxycyclobutyl)-1-(3-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 103162209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).