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

C20H25N3O2 — CID 8592415

IUPAC2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCOc1cccc(N2CCN(CC(=O)Nc3cccc(C)c3)CC2)c1
InChIInChI=1S/C20H25N3O2/c1-16-5-3-6-17(13-16)21-20(24)15-22-9-11-23(12-10-22)18-7-4-8-19(14-18)25-2/h3-8,13-14H,9-12,15H2,1-2H3,(H,21,24)
InChIKeyNPFOWGQVCMDCCC-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.76
Rot. Bonds5

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

2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 8592415) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID8592415
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCOc1cccc(N2CCN(CC(=O)Nc3cccc(C)c3)CC2)c1
InChIInChI=1S/C20H25N3O2/c1-16-5-3-6-17(13-16)21-20(24)15-22-9-11-23(12-10-22)18-7-4-8-19(14-18)25-2/h3-8,13-14H,9-12,15H2,1-2H3,(H,21,24)
InChIKeyNPFOWGQVCMDCCC-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-(3-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide (CID 8592415) is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide is COc1cccc(N2CCN(CC(=O)Nc3cccc(C)c3)CC2)c1.
What is the InChIKey of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is NPFOWGQVCMDCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-16-5-3-6-17(13-16)21-20(24)15-22-9-11-23(12-10-22)18-7-4-8-19(14-18)25-2/h3-8,13-14H,9-12,15H2,1-2H3,(H,21,24).
What are the key properties of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide?
2-[4-(3-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-(3-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 8592415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).