2-(3-aminophenoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone

C15H23N3O2 — CID 61095265

IUPAC2-(3-aminophenoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)N1CCN(C(=O)COc2cccc(N)c2)CC1
InChIInChI=1S/C15H23N3O2/c1-12(2)17-6-8-18(9-7-17)15(19)11-20-14-5-3-4-13(16)10-14/h3-5,10,12H,6-9,11,16H2,1-2H3
InChIKeyIFWADSPJUUEQBV-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.20
Rot. Bonds4

About 2-(3-aminophenoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone

2-(3-aminophenoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 61095265) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-aminophenoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID61095265
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-(3-aminophenoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)N1CCN(C(=O)COc2cccc(N)c2)CC1
InChIInChI=1S/C15H23N3O2/c1-12(2)17-6-8-18(9-7-17)15(19)11-20-14-5-3-4-13(16)10-14/h3-5,10,12H,6-9,11,16H2,1-2H3
InChIKeyIFWADSPJUUEQBV-UHFFFAOYSA-N
XLogP1.20
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-aminophenoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone 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-(3-aminophenoxy)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 61095087
tert-butyl 4-[2-(3-aminophenoxy)acetyl]piperazine-1-carboxylate
CID 58795972
2-(3-aminophenoxy)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 107209920
2-(3-aminophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 114677451
2-[3-[(1R)-1-aminoethyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 30118492
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3-aminophenoxy)ethanone
CID 61109614
ethyl 4-[2-(3-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 892980
2-(3-bromo-5-iodophenoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 175686837
2-[3-(2-aminopropyl)phenoxy]-1-(azepan-1-yl)ethanone
CID 60906670
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
3-methyl-1-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]butan-1-one;oxalic acid
CID 171154691
2-(3-aminophenoxy)-N-(2-piperidin-1-ylpropyl)acetamide
CID 61138864

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3-aminophenoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 61095265) is 2-(3-aminophenoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3-aminophenoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3-aminophenoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone is CC(C)N1CCN(C(=O)COc2cccc(N)c2)CC1.
What is the InChIKey of 2-(3-aminophenoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is IFWADSPJUUEQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12(2)17-6-8-18(9-7-17)15(19)11-20-14-5-3-4-13(16)10-14/h3-5,10,12H,6-9,11,16H2,1-2H3.
What are the key properties of 2-(3-aminophenoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
2-(3-aminophenoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 277.37 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 61095265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).