N-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)acetamide

C21H26N2O2 — CID 46054869

IUPACN-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)acetamide
SMILESCC(=O)N(c1ccc(C)cc1)C1CCN(Cc2ccccc2O)CC1
InChIInChI=1S/C21H26N2O2/c1-16-7-9-19(10-8-16)23(17(2)24)20-11-13-22(14-12-20)15-18-5-3-4-6-21(18)25/h3-10,20,25H,11-15H2,1-2H3
InChIKeyQMQREWJUNJLZJH-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.72
Rot. Bonds4

About N-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)acetamide

N-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)acetamide (PubChem CID 46054869) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)acetamide
PubChem CID46054869
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)acetamide
SMILESCC(=O)N(c1ccc(C)cc1)C1CCN(Cc2ccccc2O)CC1
InChIInChI=1S/C21H26N2O2/c1-16-7-9-19(10-8-16)23(17(2)24)20-11-13-22(14-12-20)15-18-5-3-4-6-21(18)25/h3-10,20,25H,11-15H2,1-2H3
InChIKeyQMQREWJUNJLZJH-UHFFFAOYSA-N
XLogP3.72
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of N-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)acetamide (CID 46054869) is N-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for N-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)acetamide is CC(=O)N(c1ccc(C)cc1)C1CCN(Cc2ccccc2O)CC1.
What is the InChIKey of N-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is QMQREWJUNJLZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16-7-9-19(10-8-16)23(17(2)24)20-11-13-22(14-12-20)15-18-5-3-4-6-21(18)25/h3-10,20,25H,11-15H2,1-2H3.
What are the key properties of N-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)acetamide?
N-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 338.45 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 46054869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).