N-(3-chloro-4-methylphenyl)-2-(3-oxo-1-propanoylpiperazin-2-yl)acetamide

C16H20ClN3O3 — CID 2968567

IUPACN-(3-chloro-4-methylphenyl)-2-(3-oxo-1-propanoylpiperazin-2-yl)acetamide
SMILESCCC(=O)N1CCNC(=O)C1CC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C16H20ClN3O3/c1-3-15(22)20-7-6-18-16(23)13(20)9-14(21)19-11-5-4-10(2)12(17)8-11/h4-5,8,13H,3,6-7,9H2,1-2H3,(H,18,23)(H,19,21)
InChIKeyQESFXXBAUUBTJF-UHFFFAOYSA-N
MW337.81 g/mol
LogP1.71
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-2-(3-oxo-1-propanoylpiperazin-2-yl)acetamide

N-(3-chloro-4-methylphenyl)-2-(3-oxo-1-propanoylpiperazin-2-yl)acetamide (PubChem CID 2968567) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(3-oxo-1-propanoylpiperazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(3-oxo-1-propanoylpiperazin-2-yl)acetamide
PubChem CID2968567
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(3-oxo-1-propanoylpiperazin-2-yl)acetamide
SMILESCCC(=O)N1CCNC(=O)C1CC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C16H20ClN3O3/c1-3-15(22)20-7-6-18-16(23)13(20)9-14(21)19-11-5-4-10(2)12(17)8-11/h4-5,8,13H,3,6-7,9H2,1-2H3,(H,18,23)(H,19,21)
InChIKeyQESFXXBAUUBTJF-UHFFFAOYSA-N
XLogP1.71
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-chloro-4-methylphenyl)-2-(3-oxo-1-propanoylpiperazin-2-yl)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 N-(3-chloro-4-methylphenyl)-2-(3-oxo-1-propanoylpiperazin-2-yl)acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(3-oxo-1-propanoylpiperazin-2-yl)acetamide (CID 2968567) is N-(3-chloro-4-methylphenyl)-2-(3-oxo-1-propanoylpiperazin-2-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(3-oxo-1-propanoylpiperazin-2-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(3-oxo-1-propanoylpiperazin-2-yl)acetamide is CCC(=O)N1CCNC(=O)C1CC(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(3-oxo-1-propanoylpiperazin-2-yl)acetamide?
The InChIKey is QESFXXBAUUBTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3/c1-3-15(22)20-7-6-18-16(23)13(20)9-14(21)19-11-5-4-10(2)12(17)8-11/h4-5,8,13H,3,6-7,9H2,1-2H3,(H,18,23)(H,19,21).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(3-oxo-1-propanoylpiperazin-2-yl)acetamide?
N-(3-chloro-4-methylphenyl)-2-(3-oxo-1-propanoylpiperazin-2-yl)acetamide has a molecular weight of 337.81 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(3-oxo-1-propanoylpiperazin-2-yl)acetamide is sourced from PubChem (CID 2968567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).