1-(3-anilinoazetidin-1-yl)-2-(1-methylpiperidin-4-yl)oxyethanone

C17H25N3O2 — CID 154870055

IUPAC1-(3-anilinoazetidin-1-yl)-2-(1-methylpiperidin-4-yl)oxyethanone
SMILESCN1CCC(OCC(=O)N2CC(Nc3ccccc3)C2)CC1
InChIInChI=1S/C17H25N3O2/c1-19-9-7-16(8-10-19)22-13-17(21)20-11-15(12-20)18-14-5-3-2-4-6-14/h2-6,15-16,18H,7-13H2,1H3
InChIKeyWVGDXTWHIQOONB-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.42
Rot. Bonds5

About 1-(3-anilinoazetidin-1-yl)-2-(1-methylpiperidin-4-yl)oxyethanone

1-(3-anilinoazetidin-1-yl)-2-(1-methylpiperidin-4-yl)oxyethanone (PubChem CID 154870055) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(3-anilinoazetidin-1-yl)-2-(1-methylpiperidin-4-yl)oxyethanone.

Molecular Properties

Compound Name1-(3-anilinoazetidin-1-yl)-2-(1-methylpiperidin-4-yl)oxyethanone
PubChem CID154870055
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-(3-anilinoazetidin-1-yl)-2-(1-methylpiperidin-4-yl)oxyethanone
SMILESCN1CCC(OCC(=O)N2CC(Nc3ccccc3)C2)CC1
InChIInChI=1S/C17H25N3O2/c1-19-9-7-16(8-10-19)22-13-17(21)20-11-15(12-20)18-14-5-3-2-4-6-14/h2-6,15-16,18H,7-13H2,1H3
InChIKeyWVGDXTWHIQOONB-UHFFFAOYSA-N
XLogP1.42
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-anilinoazetidin-1-yl)-2-(1-methylpiperidin-4-yl)oxyethanone?
The IUPAC name of 1-(3-anilinoazetidin-1-yl)-2-(1-methylpiperidin-4-yl)oxyethanone (CID 154870055) is 1-(3-anilinoazetidin-1-yl)-2-(1-methylpiperidin-4-yl)oxyethanone.
What is the SMILES notation for 1-(3-anilinoazetidin-1-yl)-2-(1-methylpiperidin-4-yl)oxyethanone?
The canonical SMILES for 1-(3-anilinoazetidin-1-yl)-2-(1-methylpiperidin-4-yl)oxyethanone is CN1CCC(OCC(=O)N2CC(Nc3ccccc3)C2)CC1.
What is the InChIKey of 1-(3-anilinoazetidin-1-yl)-2-(1-methylpiperidin-4-yl)oxyethanone?
The InChIKey is WVGDXTWHIQOONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-19-9-7-16(8-10-19)22-13-17(21)20-11-15(12-20)18-14-5-3-2-4-6-14/h2-6,15-16,18H,7-13H2,1H3.
What are the key properties of 1-(3-anilinoazetidin-1-yl)-2-(1-methylpiperidin-4-yl)oxyethanone?
1-(3-anilinoazetidin-1-yl)-2-(1-methylpiperidin-4-yl)oxyethanone has a molecular weight of 303.41 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-anilinoazetidin-1-yl)-2-(1-methylpiperidin-4-yl)oxyethanone is sourced from PubChem (CID 154870055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).