2-[4-(2-methoxyphenyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide

C21H26N2O2 — CID 10472323

IUPAC2-[4-(2-methoxyphenyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCOc1ccccc1C1CCN(CC(=O)Nc2cccc(C)c2)CC1
InChIInChI=1S/C21H26N2O2/c1-16-6-5-7-18(14-16)22-21(24)15-23-12-10-17(11-13-23)19-8-3-4-9-20(19)25-2/h3-9,14,17H,10-13,15H2,1-2H3,(H,22,24)
InChIKeyWNDADDXKRMDNSK-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.82
Rot. Bonds5

About 2-[4-(2-methoxyphenyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide

2-[4-(2-methoxyphenyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 10472323) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID10472323
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-[4-(2-methoxyphenyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCOc1ccccc1C1CCN(CC(=O)Nc2cccc(C)c2)CC1
InChIInChI=1S/C21H26N2O2/c1-16-6-5-7-18(14-16)22-21(24)15-23-12-10-17(11-13-23)19-8-3-4-9-20(19)25-2/h3-9,14,17H,10-13,15H2,1-2H3,(H,22,24)
InChIKeyWNDADDXKRMDNSK-UHFFFAOYSA-N
XLogP3.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide (CID 10472323) is 2-[4-(2-methoxyphenyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide is COc1ccccc1C1CCN(CC(=O)Nc2cccc(C)c2)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is WNDADDXKRMDNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16-6-5-7-18(14-16)22-21(24)15-23-12-10-17(11-13-23)19-8-3-4-9-20(19)25-2/h3-9,14,17H,10-13,15H2,1-2H3,(H,22,24).
What are the key properties of 2-[4-(2-methoxyphenyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide?
2-[4-(2-methoxyphenyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 338.45 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 10472323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).