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

C20H25N3O2 — CID 2653640

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCOc1ccccc1N1CCN(CC(=O)Nc2cccc(C)c2)CC1
InChIInChI=1S/C20H25N3O2/c1-16-6-5-7-17(14-16)21-20(24)15-22-10-12-23(13-11-22)18-8-3-4-9-19(18)25-2/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)
InChIKeyFENSXJYDPMBEKM-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.76
Rot. Bonds5

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

2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 2653640) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID2653640
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCOc1ccccc1N1CCN(CC(=O)Nc2cccc(C)c2)CC1
InChIInChI=1S/C20H25N3O2/c1-16-6-5-7-17(14-16)21-20(24)15-22-10-12-23(13-11-22)18-8-3-4-9-19(18)25-2/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)
InChIKeyFENSXJYDPMBEKM-UHFFFAOYSA-N
XLogP2.76
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide (CID 2653640) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide is COc1ccccc1N1CCN(CC(=O)Nc2cccc(C)c2)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is FENSXJYDPMBEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-16-6-5-7-17(14-16)21-20(24)15-22-10-12-23(13-11-22)18-8-3-4-9-19(18)25-2/h3-9,14H,10-13,15H2,1-2H3,(H,21,24).
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide?
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 339.44 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 2653640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).