2-(2-hydroxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide

C22H28N2O3 — CID 60615784

IUPAC2-(2-hydroxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
SMILESCOc1ccc(C(CNC(=O)Cc2ccccc2O)N2CCCCC2)cc1
InChIInChI=1S/C22H28N2O3/c1-27-19-11-9-17(10-12-19)20(24-13-5-2-6-14-24)16-23-22(26)15-18-7-3-4-8-21(18)25/h3-4,7-12,20,25H,2,5-6,13-16H2,1H3,(H,23,26)
InChIKeyWJJBZDDACVZXBF-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.29
Rot. Bonds7

About 2-(2-hydroxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide

2-(2-hydroxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide (PubChem CID 60615784) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
PubChem CID60615784
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-(2-hydroxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
SMILESCOc1ccc(C(CNC(=O)Cc2ccccc2O)N2CCCCC2)cc1
InChIInChI=1S/C22H28N2O3/c1-27-19-11-9-17(10-12-19)20(24-13-5-2-6-14-24)16-23-22(26)15-18-7-3-4-8-21(18)25/h3-4,7-12,20,25H,2,5-6,13-16H2,1H3,(H,23,26)
InChIKeyWJJBZDDACVZXBF-UHFFFAOYSA-N
XLogP3.29
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide?
The IUPAC name of 2-(2-hydroxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide (CID 60615784) is 2-(2-hydroxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-(2-hydroxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide?
The canonical SMILES for 2-(2-hydroxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide is COc1ccc(C(CNC(=O)Cc2ccccc2O)N2CCCCC2)cc1.
What is the InChIKey of 2-(2-hydroxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide?
The InChIKey is WJJBZDDACVZXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-27-19-11-9-17(10-12-19)20(24-13-5-2-6-14-24)16-23-22(26)15-18-7-3-4-8-21(18)25/h3-4,7-12,20,25H,2,5-6,13-16H2,1H3,(H,23,26).
What are the key properties of 2-(2-hydroxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide?
2-(2-hydroxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide has a molecular weight of 368.48 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide is sourced from PubChem (CID 60615784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).