2-(4-phenylphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide

C22H28N2O2 — CID 9405885

IUPAC2-(4-phenylphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1)NCCCN1CCCCC1
InChIInChI=1S/C22H28N2O2/c25-22(23-14-7-17-24-15-5-2-6-16-24)18-26-21-12-10-20(11-13-21)19-8-3-1-4-9-19/h1,3-4,8-13H,2,5-7,14-18H2,(H,23,25)
InChIKeyIYYRFRHVGUOBGU-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.72
Rot. Bonds8

About 2-(4-phenylphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide

2-(4-phenylphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide (PubChem CID 9405885) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-(4-phenylphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-phenylphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide
PubChem CID9405885
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-(4-phenylphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1)NCCCN1CCCCC1
InChIInChI=1S/C22H28N2O2/c25-22(23-14-7-17-24-15-5-2-6-16-24)18-26-21-12-10-20(11-13-21)19-8-3-1-4-9-19/h1,3-4,8-13H,2,5-7,14-18H2,(H,23,25)
InChIKeyIYYRFRHVGUOBGU-UHFFFAOYSA-N
XLogP3.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide?
The IUPAC name of 2-(4-phenylphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide (CID 9405885) is 2-(4-phenylphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-phenylphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(4-phenylphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide is O=C(COc1ccc(-c2ccccc2)cc1)NCCCN1CCCCC1.
What is the InChIKey of 2-(4-phenylphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide?
The InChIKey is IYYRFRHVGUOBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c25-22(23-14-7-17-24-15-5-2-6-16-24)18-26-21-12-10-20(11-13-21)19-8-3-1-4-9-19/h1,3-4,8-13H,2,5-7,14-18H2,(H,23,25).
What are the key properties of 2-(4-phenylphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide?
2-(4-phenylphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide has a molecular weight of 352.48 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide is sourced from PubChem (CID 9405885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).