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

C21H21N3O3 — CID 1092654

IUPACN-[4-(4-acetylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)c3cc4ccccc4o3)cc2)CC1
InChIInChI=1S/C21H21N3O3/c1-15(25)23-10-12-24(13-11-23)18-8-6-17(7-9-18)22-21(26)20-14-16-4-2-3-5-19(16)27-20/h2-9,14H,10-13H2,1H3,(H,22,26)
InChIKeyDFOWEJJLYXMXHR-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.35
Rot. Bonds3

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

N-[4-(4-acetylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 1092654) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[4-(4-acetylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID1092654
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)c3cc4ccccc4o3)cc2)CC1
InChIInChI=1S/C21H21N3O3/c1-15(25)23-10-12-24(13-11-23)18-8-6-17(7-9-18)22-21(26)20-14-16-4-2-3-5-19(16)27-20/h2-9,14H,10-13H2,1H3,(H,22,26)
InChIKeyDFOWEJJLYXMXHR-UHFFFAOYSA-N
XLogP3.35
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(4-acetylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide 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]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide (CID 1092654) is N-[4-(4-acetylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(4-acetylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(4-acetylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide is CC(=O)N1CCN(c2ccc(NC(=O)c3cc4ccccc4o3)cc2)CC1.
What is the InChIKey of N-[4-(4-acetylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is DFOWEJJLYXMXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-15(25)23-10-12-24(13-11-23)18-8-6-17(7-9-18)22-21(26)20-14-16-4-2-3-5-19(16)27-20/h2-9,14H,10-13H2,1H3,(H,22,26).
What are the key properties of N-[4-(4-acetylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide?
N-[4-(4-acetylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 1092654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).