2-(4-aminophenoxy)-N-(1-benzylpiperidin-3-yl)acetamide

C20H25N3O2 — CID 113239292

IUPAC2-(4-aminophenoxy)-N-(1-benzylpiperidin-3-yl)acetamide
SMILESNc1ccc(OCC(=O)NC2CCCN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C20H25N3O2/c21-17-8-10-19(11-9-17)25-15-20(24)22-18-7-4-12-23(14-18)13-16-5-2-1-3-6-16/h1-3,5-6,8-11,18H,4,7,12-15,21H2,(H,22,24)
InChIKeyUPFMJXBJUKGDGF-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.43
Rot. Bonds6

About 2-(4-aminophenoxy)-N-(1-benzylpiperidin-3-yl)acetamide

2-(4-aminophenoxy)-N-(1-benzylpiperidin-3-yl)acetamide (PubChem CID 113239292) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-(1-benzylpiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-(1-benzylpiperidin-3-yl)acetamide
PubChem CID113239292
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-(4-aminophenoxy)-N-(1-benzylpiperidin-3-yl)acetamide
SMILESNc1ccc(OCC(=O)NC2CCCN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C20H25N3O2/c21-17-8-10-19(11-9-17)25-15-20(24)22-18-7-4-12-23(14-18)13-16-5-2-1-3-6-16/h1-3,5-6,8-11,18H,4,7,12-15,21H2,(H,22,24)
InChIKeyUPFMJXBJUKGDGF-UHFFFAOYSA-N
XLogP2.43
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 24791479
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
2-(4-acetylphenoxy)-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide
CID 56715324
N-(1-benzylpyrrolidin-3-yl)-2-(2-chlorophenoxy)acetamide
CID 18156311
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
N-(1-benzylpiperidin-4-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 46488361
N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(2-phenylphenoxy)acetamide
CID 41095172
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
2-(azepan-1-yl)-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
CID 131913098
3-amino-N-(1-benzylpiperidin-3-yl)butanamide;dihydrochloride
CID 119856024

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-(1-benzylpiperidin-3-yl)acetamide?
The IUPAC name of 2-(4-aminophenoxy)-N-(1-benzylpiperidin-3-yl)acetamide (CID 113239292) is 2-(4-aminophenoxy)-N-(1-benzylpiperidin-3-yl)acetamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-(1-benzylpiperidin-3-yl)acetamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-(1-benzylpiperidin-3-yl)acetamide is Nc1ccc(OCC(=O)NC2CCCN(Cc3ccccc3)C2)cc1.
What is the InChIKey of 2-(4-aminophenoxy)-N-(1-benzylpiperidin-3-yl)acetamide?
The InChIKey is UPFMJXBJUKGDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c21-17-8-10-19(11-9-17)25-15-20(24)22-18-7-4-12-23(14-18)13-16-5-2-1-3-6-16/h1-3,5-6,8-11,18H,4,7,12-15,21H2,(H,22,24).
What are the key properties of 2-(4-aminophenoxy)-N-(1-benzylpiperidin-3-yl)acetamide?
2-(4-aminophenoxy)-N-(1-benzylpiperidin-3-yl)acetamide has a molecular weight of 339.44 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-N-(1-benzylpiperidin-3-yl)acetamide is sourced from PubChem (CID 113239292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).