2-(4-benzyl-3-oxopiperazin-2-yl)-N-(4-chlorophenyl)acetamide

C19H20ClN3O2 — CID 2806928

IUPAC2-(4-benzyl-3-oxopiperazin-2-yl)-N-(4-chlorophenyl)acetamide
SMILESO=C(CC1NCCN(Cc2ccccc2)C1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3O2/c20-15-6-8-16(9-7-15)22-18(24)12-17-19(25)23(11-10-21-17)13-14-4-2-1-3-5-14/h1-9,17,21H,10-13H2,(H,22,24)
InChIKeyHQDFIGREQWXMGT-UHFFFAOYSA-N
MW357.84 g/mol
LogP2.67
Rot. Bonds5

About 2-(4-benzyl-3-oxopiperazin-2-yl)-N-(4-chlorophenyl)acetamide

2-(4-benzyl-3-oxopiperazin-2-yl)-N-(4-chlorophenyl)acetamide (PubChem CID 2806928) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 2-(4-benzyl-3-oxopiperazin-2-yl)-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzyl-3-oxopiperazin-2-yl)-N-(4-chlorophenyl)acetamide
PubChem CID2806928
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name2-(4-benzyl-3-oxopiperazin-2-yl)-N-(4-chlorophenyl)acetamide
SMILESO=C(CC1NCCN(Cc2ccccc2)C1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3O2/c20-15-6-8-16(9-7-15)22-18(24)12-17-19(25)23(11-10-21-17)13-14-4-2-1-3-5-14/h1-9,17,21H,10-13H2,(H,22,24)
InChIKeyHQDFIGREQWXMGT-UHFFFAOYSA-N
XLogP2.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-benzyl-3-oxopiperazin-2-yl)-N-(4-chlorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-3-oxopiperazin-2-yl)-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-(4-benzyl-3-oxopiperazin-2-yl)-N-(4-chlorophenyl)acetamide (CID 2806928) is 2-(4-benzyl-3-oxopiperazin-2-yl)-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-(4-benzyl-3-oxopiperazin-2-yl)-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-(4-benzyl-3-oxopiperazin-2-yl)-N-(4-chlorophenyl)acetamide is O=C(CC1NCCN(Cc2ccccc2)C1=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-benzyl-3-oxopiperazin-2-yl)-N-(4-chlorophenyl)acetamide?
The InChIKey is HQDFIGREQWXMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c20-15-6-8-16(9-7-15)22-18(24)12-17-19(25)23(11-10-21-17)13-14-4-2-1-3-5-14/h1-9,17,21H,10-13H2,(H,22,24).
What are the key properties of 2-(4-benzyl-3-oxopiperazin-2-yl)-N-(4-chlorophenyl)acetamide?
2-(4-benzyl-3-oxopiperazin-2-yl)-N-(4-chlorophenyl)acetamide has a molecular weight of 357.84 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-3-oxopiperazin-2-yl)-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 2806928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).