3-(3-aminophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one

C15H22N2O2 — CID 61090343

IUPAC3-(3-aminophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCN(C(=O)CCOc2cccc(N)c2)C1
InChIInChI=1S/C15H22N2O2/c1-12-4-3-8-17(11-12)15(18)7-9-19-14-6-2-5-13(16)10-14/h2,5-6,10,12H,3-4,7-9,11,16H2,1H3
InChIKeyKROHQCPXFVJEOO-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.30
Rot. Bonds4

About 3-(3-aminophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one

3-(3-aminophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one (PubChem CID 61090343) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(3-aminophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-aminophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one
PubChem CID61090343
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(3-aminophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCN(C(=O)CCOc2cccc(N)c2)C1
InChIInChI=1S/C15H22N2O2/c1-12-4-3-8-17(11-12)15(18)7-9-19-14-6-2-5-13(16)10-14/h2,5-6,10,12H,3-4,7-9,11,16H2,1H3
InChIKeyKROHQCPXFVJEOO-UHFFFAOYSA-N
XLogP2.30
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-aminophenoxy)-1-(3-methylpiperidin-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

methyl 1-[3-(3-aminophenoxy)propanoyl]pyrrolidine-2-carboxylate
CID 61094210
3-(3-aminophenoxy)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 61095087
1-[3-(aminomethyl)piperidin-1-yl]-3-(3-methylphenoxy)propan-1-one;hydrochloride
CID 119464975
3-(3-fluorophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 93041279
1-[3-(bromomethyl)piperidin-1-yl]-3-(3-methylphenoxy)propan-1-one
CID 80660691
2-(3-aminophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 114677451
2-(4-aminophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 28689718
1-(4-amino-3-methylpiperidin-1-yl)-3-(3-methylphenoxy)propan-1-one
CID 79867710
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103
3-(3,4-dichlorophenoxy)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 55676294
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3-aminophenoxy)ethanone
CID 61109614
2-[3-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]acetic acid
CID 61398074

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(3-aminophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one (CID 61090343) is 3-(3-aminophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(3-aminophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(3-aminophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one is CC1CCCN(C(=O)CCOc2cccc(N)c2)C1.
What is the InChIKey of 3-(3-aminophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one?
The InChIKey is KROHQCPXFVJEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-4-3-8-17(11-12)15(18)7-9-19-14-6-2-5-13(16)10-14/h2,5-6,10,12H,3-4,7-9,11,16H2,1H3.
What are the key properties of 3-(3-aminophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one?
3-(3-aminophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one has a molecular weight of 262.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 61090343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).