N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methylbenzamide

C20H23N3O2 — CID 1132516

IUPACN-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methylbenzamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3C)cc2)CC1
InChIInChI=1S/C20H23N3O2/c1-15-5-3-4-6-19(15)20(25)21-17-7-9-18(10-8-17)23-13-11-22(12-14-23)16(2)24/h3-10H,11-14H2,1-2H3,(H,21,25)
InChIKeyCUWMOEXMPNTWER-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.92
Rot. Bonds3

About N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methylbenzamide

N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methylbenzamide (PubChem CID 1132516) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methylbenzamide
PubChem CID1132516
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methylbenzamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3C)cc2)CC1
InChIInChI=1S/C20H23N3O2/c1-15-5-3-4-6-19(15)20(25)21-17-7-9-18(10-8-17)23-13-11-22(12-14-23)16(2)24/h3-10H,11-14H2,1-2H3,(H,21,25)
InChIKeyCUWMOEXMPNTWER-UHFFFAOYSA-N
XLogP2.92
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methylbenzamide 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-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methylbenzamide (CID 1132516) is N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methylbenzamide is CC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3C)cc2)CC1.
What is the InChIKey of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methylbenzamide?
The InChIKey is CUWMOEXMPNTWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15-5-3-4-6-19(15)20(25)21-17-7-9-18(10-8-17)23-13-11-22(12-14-23)16(2)24/h3-10H,11-14H2,1-2H3,(H,21,25).
What are the key properties of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methylbenzamide?
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methylbenzamide has a molecular weight of 337.42 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methylbenzamide is sourced from PubChem (CID 1132516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).