3-(3-aminophenoxy)-N-(1-methylpiperidin-4-yl)propanamide

C15H23N3O2 — CID 61094992

IUPAC3-(3-aminophenoxy)-N-(1-methylpiperidin-4-yl)propanamide
SMILESCN1CCC(NC(=O)CCOc2cccc(N)c2)CC1
InChIInChI=1S/C15H23N3O2/c1-18-8-5-13(6-9-18)17-15(19)7-10-20-14-4-2-3-12(16)11-14/h2-4,11,13H,5-10,16H2,1H3,(H,17,19)
InChIKeyJIRLWROKHPXCHD-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.25
Rot. Bonds5

About 3-(3-aminophenoxy)-N-(1-methylpiperidin-4-yl)propanamide

3-(3-aminophenoxy)-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 61094992) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-(3-aminophenoxy)-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenoxy)-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID61094992
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-(3-aminophenoxy)-N-(1-methylpiperidin-4-yl)propanamide
SMILESCN1CCC(NC(=O)CCOc2cccc(N)c2)CC1
InChIInChI=1S/C15H23N3O2/c1-18-8-5-13(6-9-18)17-15(19)7-10-20-14-4-2-3-12(16)11-14/h2-4,11,13H,5-10,16H2,1H3,(H,17,19)
InChIKeyJIRLWROKHPXCHD-UHFFFAOYSA-N
XLogP1.25
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminophenoxy)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 61093289
3-(3-aminophenoxy)-N-(2-methylcyclopentyl)propanamide
CID 55173195
3-(3-aminophenoxy)-N-(1-cyclopropylethyl)propanamide
CID 61095016
2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 47114454
3-[3-[(1S)-1-aminoethyl]phenoxy]-N-cyclopropylpropanamide
CID 63367378
N-[1-(2-aminoethyl)piperidin-4-yl]-3-phenoxypropanamide
CID 63627698
ethyl 4-(3-phenoxypropanoylamino)piperidine-1-carboxylate
CID 31542229
2-(3-aminophenoxy)-N-(4-methylcyclohexyl)acetamide
CID 54916003
N-cyclopropyl-3-[3-(1-hydroxyethyl)phenoxy]propanamide
CID 62627215
4-[[2-(3-aminophenoxy)acetyl]amino]-N-cyclopropylbutanamide
CID 79378028
2-(3-aminophenyl)-N-(1-methylpiperidin-4-yl)propanamide
CID 106590880
N-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-4-yl]-3-[3-(trifluoromethyl)phenoxy]propanamide
CID 142457884

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenoxy)-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(3-aminophenoxy)-N-(1-methylpiperidin-4-yl)propanamide (CID 61094992) is 3-(3-aminophenoxy)-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(3-aminophenoxy)-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(3-aminophenoxy)-N-(1-methylpiperidin-4-yl)propanamide is CN1CCC(NC(=O)CCOc2cccc(N)c2)CC1.
What is the InChIKey of 3-(3-aminophenoxy)-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is JIRLWROKHPXCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18-8-5-13(6-9-18)17-15(19)7-10-20-14-4-2-3-12(16)11-14/h2-4,11,13H,5-10,16H2,1H3,(H,17,19).
What are the key properties of 3-(3-aminophenoxy)-N-(1-methylpiperidin-4-yl)propanamide?
3-(3-aminophenoxy)-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 277.37 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenoxy)-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 61094992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).