2-(3-ethoxycyclobutyl)-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone

C15H28N2O2 — CID 103161328

IUPAC2-(3-ethoxycyclobutyl)-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone
SMILESCCOC1CC(CC(=O)N2CCC(NC)C(C)C2)C1
InChIInChI=1S/C15H28N2O2/c1-4-19-13-7-12(8-13)9-15(18)17-6-5-14(16-3)11(2)10-17/h11-14,16H,4-10H2,1-3H3
InChIKeyHEOWNVGGPHEOOD-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.65
Rot. Bonds5

About 2-(3-ethoxycyclobutyl)-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone

2-(3-ethoxycyclobutyl)-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone (PubChem CID 103161328) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-(3-ethoxycyclobutyl)-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-ethoxycyclobutyl)-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone
PubChem CID103161328
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-(3-ethoxycyclobutyl)-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone
SMILESCCOC1CC(CC(=O)N2CCC(NC)C(C)C2)C1
InChIInChI=1S/C15H28N2O2/c1-4-19-13-7-12(8-13)9-15(18)17-6-5-14(16-3)11(2)10-17/h11-14,16H,4-10H2,1-3H3
InChIKeyHEOWNVGGPHEOOD-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 103161329
1-(3-chloropyrrolidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103166618
1-[2-(3-ethoxycyclobutyl)acetyl]pyrrolidine-3-carboxylic acid
CID 103161885
1-[3-methyl-4-(methylamino)piperidin-1-yl]butan-1-one
CID 114498153
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103165089
2-methoxy-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 114498163
2-(3-ethoxycyclobutyl)-1-(3-methylpiperazin-1-yl)ethanone
CID 103162209
1-[3-methyl-4-(methylamino)piperidin-1-yl]pentan-1-one
CID 114498267
2-(3-ethoxycyclobutyl)-1-piperidin-1-ylethanone
CID 103164590
2-(3-ethoxycyclobutyl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 103164675
1-[3-(chloromethyl)piperidin-1-yl]-2-(3-ethoxycyclobutyl)ethanone
CID 103166602
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-ethoxycyclobutyl)ethanone
CID 103164939

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycyclobutyl)-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-ethoxycyclobutyl)-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone (CID 103161328) is 2-(3-ethoxycyclobutyl)-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-ethoxycyclobutyl)-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-ethoxycyclobutyl)-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone is CCOC1CC(CC(=O)N2CCC(NC)C(C)C2)C1.
What is the InChIKey of 2-(3-ethoxycyclobutyl)-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone?
The InChIKey is HEOWNVGGPHEOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-19-13-7-12(8-13)9-15(18)17-6-5-14(16-3)11(2)10-17/h11-14,16H,4-10H2,1-3H3.
What are the key properties of 2-(3-ethoxycyclobutyl)-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone?
2-(3-ethoxycyclobutyl)-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone has a molecular weight of 268.40 g/mol, XLogP of 1.65, 5 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-methyl-4-(methylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 103161328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).