1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(3-ethoxycyclobutyl)ethanone

C15H26N2O2 — CID 103165089

IUPAC1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(3-ethoxycyclobutyl)ethanone
SMILESCCOC1CC(CC(=O)N2CCC3CCC(C2)N3)C1
InChIInChI=1S/C15H26N2O2/c1-2-19-14-7-11(8-14)9-15(18)17-6-5-12-3-4-13(10-17)16-12/h11-14,16H,2-10H2,1H3
InChIKeyQXINOVQFCDBNDE-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.54
Rot. Bonds4

About 1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(3-ethoxycyclobutyl)ethanone

1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(3-ethoxycyclobutyl)ethanone (PubChem CID 103165089) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(3-ethoxycyclobutyl)ethanone.

Molecular Properties

Compound Name1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(3-ethoxycyclobutyl)ethanone
PubChem CID103165089
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(3-ethoxycyclobutyl)ethanone
SMILESCCOC1CC(CC(=O)N2CCC3CCC(C2)N3)C1
InChIInChI=1S/C15H26N2O2/c1-2-19-14-7-11(8-14)9-15(18)17-6-5-12-3-4-13(10-17)16-12/h11-14,16H,2-10H2,1H3
InChIKeyQXINOVQFCDBNDE-UHFFFAOYSA-N
XLogP1.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloropyrrolidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103166618
2-(3-ethoxycyclobutyl)-1-(3-methylpiperazin-1-yl)ethanone
CID 103162209
1-[2-(3-ethoxycyclobutyl)acetyl]pyrrolidine-3-carboxylic acid
CID 103161885
2-(3-ethoxycyclobutyl)-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 103161328
2-(3-ethoxycyclobutyl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 103164675
2-(3-ethoxycyclobutyl)-1-piperidin-1-ylethanone
CID 103164590
1-[3-(chloromethyl)piperidin-1-yl]-2-(3-ethoxycyclobutyl)ethanone
CID 103166602
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride
CID 119639407
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-ethoxycyclobutyl)ethanone
CID 103164939
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)octan-1-one
CID 81483444
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone
CID 119786515
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methoxypropan-1-one
CID 81483633

Frequently Asked Questions

What is the IUPAC name of 1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(3-ethoxycyclobutyl)ethanone?
The IUPAC name of 1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(3-ethoxycyclobutyl)ethanone (CID 103165089) is 1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(3-ethoxycyclobutyl)ethanone.
What is the SMILES notation for 1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(3-ethoxycyclobutyl)ethanone?
The canonical SMILES for 1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(3-ethoxycyclobutyl)ethanone is CCOC1CC(CC(=O)N2CCC3CCC(C2)N3)C1.
What is the InChIKey of 1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(3-ethoxycyclobutyl)ethanone?
The InChIKey is QXINOVQFCDBNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-2-19-14-7-11(8-14)9-15(18)17-6-5-12-3-4-13(10-17)16-12/h11-14,16H,2-10H2,1H3.
What are the key properties of 1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(3-ethoxycyclobutyl)ethanone?
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(3-ethoxycyclobutyl)ethanone has a molecular weight of 266.38 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(3-ethoxycyclobutyl)ethanone is sourced from PubChem (CID 103165089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).