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

C21H21N3O3 — CID 2996437

IUPACN-[2-(4-acetylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESCC(=O)N1CCN(c2ccccc2NC(=O)c2cc3ccccc3o2)CC1
InChIInChI=1S/C21H21N3O3/c1-15(25)23-10-12-24(13-11-23)18-8-4-3-7-17(18)22-21(26)20-14-16-6-2-5-9-19(16)27-20/h2-9,14H,10-13H2,1H3,(H,22,26)
InChIKeyWEFIFQXRHDBSNX-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.35
Rot. Bonds3

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

N-[2-(4-acetylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 2996437) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID2996437
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESCC(=O)N1CCN(c2ccccc2NC(=O)c2cc3ccccc3o2)CC1
InChIInChI=1S/C21H21N3O3/c1-15(25)23-10-12-24(13-11-23)18-8-4-3-7-17(18)22-21(26)20-14-16-6-2-5-9-19(16)27-20/h2-9,14H,10-13H2,1H3,(H,22,26)
InChIKeyWEFIFQXRHDBSNX-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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide (CID 2996437) is N-[2-(4-acetylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide is CC(=O)N1CCN(c2ccccc2NC(=O)c2cc3ccccc3o2)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is WEFIFQXRHDBSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-15(25)23-10-12-24(13-11-23)18-8-4-3-7-17(18)22-21(26)20-14-16-6-2-5-9-19(16)27-20/h2-9,14H,10-13H2,1H3,(H,22,26).
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide?
N-[2-(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-[2-(4-acetylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2996437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).