2-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)acetamide

C20H25N3O — CID 2243596

IUPAC2-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H25N3O/c1-17-7-5-6-10-19(17)21-20(24)16-23-13-11-22(12-14-23)15-18-8-3-2-4-9-18/h2-10H,11-16H2,1H3,(H,21,24)
InChIKeyAAJZGIJQXHXUCX-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.75
Rot. Bonds5

About 2-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)acetamide

2-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)acetamide (PubChem CID 2243596) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)acetamide
PubChem CID2243596
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H25N3O/c1-17-7-5-6-10-19(17)21-20(24)16-23-13-11-22(12-14-23)15-18-8-3-2-4-9-18/h2-10H,11-16H2,1H3,(H,21,24)
InChIKeyAAJZGIJQXHXUCX-UHFFFAOYSA-N
XLogP2.75
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)acetamide (CID 2243596) is 2-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)acetamide?
The InChIKey is AAJZGIJQXHXUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-17-7-5-6-10-19(17)21-20(24)16-23-13-11-22(12-14-23)15-18-8-3-2-4-9-18/h2-10H,11-16H2,1H3,(H,21,24).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)acetamide?
2-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)acetamide has a molecular weight of 323.44 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 2243596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).