2-(3-ethoxycyclobutyl)-1-piperidin-1-ylethanone

C13H23NO2 — CID 103164590

IUPAC2-(3-ethoxycyclobutyl)-1-piperidin-1-ylethanone
SMILESCCOC1CC(CC(=O)N2CCCCC2)C1
InChIInChI=1S/C13H23NO2/c1-2-16-12-8-11(9-12)10-13(15)14-6-4-3-5-7-14/h11-12H,2-10H2,1H3
InChIKeyIUBRJXUONBQNIV-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.20
Rot. Bonds4

About 2-(3-ethoxycyclobutyl)-1-piperidin-1-ylethanone

2-(3-ethoxycyclobutyl)-1-piperidin-1-ylethanone (PubChem CID 103164590) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-(3-ethoxycyclobutyl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(3-ethoxycyclobutyl)-1-piperidin-1-ylethanone
PubChem CID103164590
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-(3-ethoxycyclobutyl)-1-piperidin-1-ylethanone
SMILESCCOC1CC(CC(=O)N2CCCCC2)C1
InChIInChI=1S/C13H23NO2/c1-2-16-12-8-11(9-12)10-13(15)14-6-4-3-5-7-14/h11-12H,2-10H2,1H3
InChIKeyIUBRJXUONBQNIV-UHFFFAOYSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-ethoxycyclobutyl)acetyl]pyrrolidine-3-carboxylic acid
CID 103161885
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
1-(3-chloropyrrolidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103166618
1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103163779
2-(3-ethoxycyclobutyl)-1-(3-methylpiperazin-1-yl)ethanone
CID 103162209
1-[2-(chloromethyl)azepan-1-yl]-2-(3-ethoxycyclobutyl)ethanone
CID 103166924
2-[4-[2-(3-ethoxycyclobutyl)acetyl]piperazin-1-yl]propanenitrile
CID 103163584
2-[4-[2-(3-ethoxycyclobutyl)acetyl]piperazin-1-yl]-2-methylpropanenitrile
CID 103163589
1-cyclohexyl-2-(3-ethoxycyclobutyl)ethanone
CID 103167714
1-(3-amino-3-propylazetidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103166996

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycyclobutyl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(3-ethoxycyclobutyl)-1-piperidin-1-ylethanone (CID 103164590) is 2-(3-ethoxycyclobutyl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(3-ethoxycyclobutyl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(3-ethoxycyclobutyl)-1-piperidin-1-ylethanone is CCOC1CC(CC(=O)N2CCCCC2)C1.
What is the InChIKey of 2-(3-ethoxycyclobutyl)-1-piperidin-1-ylethanone?
The InChIKey is IUBRJXUONBQNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-16-12-8-11(9-12)10-13(15)14-6-4-3-5-7-14/h11-12H,2-10H2,1H3.
What are the key properties of 2-(3-ethoxycyclobutyl)-1-piperidin-1-ylethanone?
2-(3-ethoxycyclobutyl)-1-piperidin-1-ylethanone has a molecular weight of 225.33 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxycyclobutyl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 103164590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).