3-(2-aminophenoxy)-1-(3-methoxypiperidin-1-yl)propan-1-one

C15H22N2O3 — CID 102955034

IUPAC3-(2-aminophenoxy)-1-(3-methoxypiperidin-1-yl)propan-1-one
SMILESCOC1CCCN(C(=O)CCOc2ccccc2N)C1
InChIInChI=1S/C15H22N2O3/c1-19-12-5-4-9-17(11-12)15(18)8-10-20-14-7-3-2-6-13(14)16/h2-3,6-7,12H,4-5,8-11,16H2,1H3
InChIKeyOXEXIOBOGNTXEW-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.68
Rot. Bonds5

About 3-(2-aminophenoxy)-1-(3-methoxypiperidin-1-yl)propan-1-one

3-(2-aminophenoxy)-1-(3-methoxypiperidin-1-yl)propan-1-one (PubChem CID 102955034) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-(2-aminophenoxy)-1-(3-methoxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-aminophenoxy)-1-(3-methoxypiperidin-1-yl)propan-1-one
PubChem CID102955034
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-(2-aminophenoxy)-1-(3-methoxypiperidin-1-yl)propan-1-one
SMILESCOC1CCCN(C(=O)CCOc2ccccc2N)C1
InChIInChI=1S/C15H22N2O3/c1-19-12-5-4-9-17(11-12)15(18)8-10-20-14-7-3-2-6-13(14)16/h2-3,6-7,12H,4-5,8-11,16H2,1H3
InChIKeyOXEXIOBOGNTXEW-UHFFFAOYSA-N
XLogP1.68
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-aminophenoxy)-1-(3-methoxypiperidin-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-aminophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 107211694
3-(2-aminophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 94895206
3-(2-aminophenoxy)-1-(3-hydroxy-4-methylpiperidin-1-yl)propan-1-one
CID 102954849
1-[(3R)-3-aminopiperidin-1-yl]-3-(2-methoxyphenoxy)propan-1-one
CID 124593466
3-(2-aminophenoxy)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 61094127
3-(2-methoxyphenoxy)-1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 124574968
1-[3-(2-methoxyphenoxy)propanoyl]piperidine-3-carboxylic acid
CID 45429307
3-(2-aminophenoxy)-1-(4-propylpiperidin-1-yl)propan-1-one
CID 62199061
2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]benzoic acid
CID 103932666
methyl 1-[4-(2-aminophenoxy)butanoyl]piperidine-4-carboxylate
CID 84551777
2-amino-1-(3-methoxypiperidin-1-yl)ethanone
CID 66564450
3-(2-fluorophenoxy)-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43403252

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenoxy)-1-(3-methoxypiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(2-aminophenoxy)-1-(3-methoxypiperidin-1-yl)propan-1-one (CID 102955034) is 3-(2-aminophenoxy)-1-(3-methoxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2-aminophenoxy)-1-(3-methoxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(2-aminophenoxy)-1-(3-methoxypiperidin-1-yl)propan-1-one is COC1CCCN(C(=O)CCOc2ccccc2N)C1.
What is the InChIKey of 3-(2-aminophenoxy)-1-(3-methoxypiperidin-1-yl)propan-1-one?
The InChIKey is OXEXIOBOGNTXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-12-5-4-9-17(11-12)15(18)8-10-20-14-7-3-2-6-13(14)16/h2-3,6-7,12H,4-5,8-11,16H2,1H3.
What are the key properties of 3-(2-aminophenoxy)-1-(3-methoxypiperidin-1-yl)propan-1-one?
3-(2-aminophenoxy)-1-(3-methoxypiperidin-1-yl)propan-1-one has a molecular weight of 278.35 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenoxy)-1-(3-methoxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 102955034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).