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

Analyze 1-(3-anilinoazetidin-1-yl)-2-(1-methylpiperidin-4-yl)oxyethanone with MolForge

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Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpiperidin-4-yl)oxyethanone;fluorobenzene
CID 155741816
1-(3-anilinopyrrolidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 56504074
1-[4-(4-methylanilino)piperidin-1-yl]-2-phenoxyethanone
CID 3973578
1-methyl-4-[2-(1-methylpiperidin-4-yl)oxyacetyl]-3H-quinoxalin-2-one
CID 136564299
1-(3-anilinopiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 120705047
2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
CID 58118367
1-(3-anilinopyrrolidin-1-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 56503572
N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-4-(2-phenoxyacetyl)piperazine-1-carboxamide
CID 126426070
2-anilino-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone
CID 82695740
(3-anilinopyrrolidin-1-yl)-cyclopropylmethanone
CID 134813424
1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-2-phenoxyethanone
CID 42147628
benzyl (3R)-3-anilinopyrrolidine-1-carboxylate
CID 171854263

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).