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

C26H23N3O3 — CID 2236635

IUPACN-[4-(4-benzoylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1cc2ccccc2o1
InChIInChI=1S/C26H23N3O3/c30-25(24-18-20-8-4-5-9-23(20)32-24)27-21-10-12-22(13-11-21)28-14-16-29(17-15-28)26(31)19-6-2-1-3-7-19/h1-13,18H,14-17H2,(H,27,30)
InChIKeyLJORFUVTERRAAH-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.65
Rot. Bonds4

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

N-[4-(4-benzoylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 2236635) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-[4-(4-benzoylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-benzoylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID2236635
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC NameN-[4-(4-benzoylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1cc2ccccc2o1
InChIInChI=1S/C26H23N3O3/c30-25(24-18-20-8-4-5-9-23(20)32-24)27-21-10-12-22(13-11-21)28-14-16-29(17-15-28)26(31)19-6-2-1-3-7-19/h1-13,18H,14-17H2,(H,27,30)
InChIKeyLJORFUVTERRAAH-UHFFFAOYSA-N
XLogP4.65
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzoylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(4-benzoylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide (CID 2236635) is N-[4-(4-benzoylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(4-benzoylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(4-benzoylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide is O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1cc2ccccc2o1.
What is the InChIKey of N-[4-(4-benzoylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is LJORFUVTERRAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c30-25(24-18-20-8-4-5-9-23(20)32-24)27-21-10-12-22(13-11-21)28-14-16-29(17-15-28)26(31)19-6-2-1-3-7-19/h1-13,18H,14-17H2,(H,27,30).
What are the key properties of N-[4-(4-benzoylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide?
N-[4-(4-benzoylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzoylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2236635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).