2-(4-benzylpiperidin-1-yl)-N-(4-hydroxyphenyl)-2-oxoacetamide

C20H22N2O3 — CID 10290921

IUPAC2-(4-benzylpiperidin-1-yl)-N-(4-hydroxyphenyl)-2-oxoacetamide
SMILESO=C(Nc1ccc(O)cc1)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H22N2O3/c23-18-8-6-17(7-9-18)21-19(24)20(25)22-12-10-16(11-13-22)14-15-4-2-1-3-5-15/h1-9,16,23H,10-14H2,(H,21,24)
InChIKeySUUUWZXPEXVKGX-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.81
Rot. Bonds3

About 2-(4-benzylpiperidin-1-yl)-N-(4-hydroxyphenyl)-2-oxoacetamide

2-(4-benzylpiperidin-1-yl)-N-(4-hydroxyphenyl)-2-oxoacetamide (PubChem CID 10290921) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-(4-hydroxyphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-(4-hydroxyphenyl)-2-oxoacetamide
PubChem CID10290921
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-(4-hydroxyphenyl)-2-oxoacetamide
SMILESO=C(Nc1ccc(O)cc1)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H22N2O3/c23-18-8-6-17(7-9-18)21-19(24)20(25)22-12-10-16(11-13-22)14-15-4-2-1-3-5-15/h1-9,16,23H,10-14H2,(H,21,24)
InChIKeySUUUWZXPEXVKGX-UHFFFAOYSA-N
XLogP2.81
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(4-hydroxyphenyl)-2-oxoacetamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(4-hydroxyphenyl)-2-oxoacetamide (CID 10290921) is 2-(4-benzylpiperidin-1-yl)-N-(4-hydroxyphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-(4-hydroxyphenyl)-2-oxoacetamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-(4-hydroxyphenyl)-2-oxoacetamide is O=C(Nc1ccc(O)cc1)C(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-(4-hydroxyphenyl)-2-oxoacetamide?
The InChIKey is SUUUWZXPEXVKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-18-8-6-17(7-9-18)21-19(24)20(25)22-12-10-16(11-13-22)14-15-4-2-1-3-5-15/h1-9,16,23H,10-14H2,(H,21,24).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-(4-hydroxyphenyl)-2-oxoacetamide?
2-(4-benzylpiperidin-1-yl)-N-(4-hydroxyphenyl)-2-oxoacetamide has a molecular weight of 338.41 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-N-(4-hydroxyphenyl)-2-oxoacetamide is sourced from PubChem (CID 10290921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).