2-(azetidin-3-yl)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone

C14H26N2O3 — CID 64611799

IUPAC2-(azetidin-3-yl)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone
SMILESCCOCCOC1CCN(C(=O)CC2CNC2)CC1
InChIInChI=1S/C14H26N2O3/c1-2-18-7-8-19-13-3-5-16(6-4-13)14(17)9-12-10-15-11-12/h12-13,15H,2-11H2,1H3
InChIKeyQNECLUUKNGBJOU-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.64
Rot. Bonds7

About 2-(azetidin-3-yl)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone

2-(azetidin-3-yl)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone (PubChem CID 64611799) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone
PubChem CID64611799
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-(azetidin-3-yl)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone
SMILESCCOCCOC1CCN(C(=O)CC2CNC2)CC1
InChIInChI=1S/C14H26N2O3/c1-2-18-7-8-19-13-3-5-16(6-4-13)14(17)9-12-10-15-11-12/h12-13,15H,2-11H2,1H3
InChIKeyQNECLUUKNGBJOU-UHFFFAOYSA-N
XLogP0.64
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one
CID 60775999
1-(4-ethoxypiperidin-1-yl)-2-piperidin-3-ylethanone
CID 62691409
ethyl 4-[4-(2-ethoxyethoxy)piperidin-1-yl]-4-oxobutanoate
CID 60776132
2-[1-(aminomethyl)cyclobutyl]-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone
CID 81172632
4-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]butan-1-one
CID 54872251
1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(prop-2-ynylamino)ethanone
CID 79286410
3-(cyclopropylamino)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one
CID 60947240
1-(4-ethoxypiperidin-1-yl)-2-(2-methoxyethoxy)ethanone
CID 113226406
methyl 1-[2-(azetidin-3-yl)acetyl]piperidine-4-carboxylate
CID 64617361
2-(4-aminocyclohexyl)-1-(4-ethoxypiperidin-1-yl)ethanone
CID 55117063
2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)ethanone
CID 115740816
2-(azetidin-3-yl)-1-(4-tert-butylpiperidin-1-yl)ethanone
CID 64611021

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone?
The IUPAC name of 2-(azetidin-3-yl)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone (CID 64611799) is 2-(azetidin-3-yl)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(azetidin-3-yl)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(azetidin-3-yl)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone is CCOCCOC1CCN(C(=O)CC2CNC2)CC1.
What is the InChIKey of 2-(azetidin-3-yl)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone?
The InChIKey is QNECLUUKNGBJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-2-18-7-8-19-13-3-5-16(6-4-13)14(17)9-12-10-15-11-12/h12-13,15H,2-11H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone?
2-(azetidin-3-yl)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone has a molecular weight of 270.37 g/mol, XLogP of 0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone is sourced from PubChem (CID 64611799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).