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

C26H23N3O3 — CID 1287918

IUPACN-[2-(4-benzoylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1cc2ccccc2o1
InChIInChI=1S/C26H23N3O3/c30-25(24-18-20-10-4-7-13-23(20)32-24)27-21-11-5-6-12-22(21)28-14-16-29(17-15-28)26(31)19-8-2-1-3-9-19/h1-13,18H,14-17H2,(H,27,30)
InChIKeySWDCBWPLPFVRGE-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.65
Rot. Bonds4

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

N-[2-(4-benzoylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 1287918) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-[2-(4-benzoylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-benzoylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID1287918
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC NameN-[2-(4-benzoylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1cc2ccccc2o1
InChIInChI=1S/C26H23N3O3/c30-25(24-18-20-10-4-7-13-23(20)32-24)27-21-11-5-6-12-22(21)28-14-16-29(17-15-28)26(31)19-8-2-1-3-9-19/h1-13,18H,14-17H2,(H,27,30)
InChIKeySWDCBWPLPFVRGE-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

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Related Compounds

CL82198
CID 2777
Befuraline
CID 68664
N-(4-acetylphenyl)-1-benzofuran-2-carboxamide
CID 675185
N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 725640
Befuraline hydrochloride
CID 73346
N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 725663
N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
CID 725651
Arylaminoethyl amide deriv. 15
CID 11387421
N-[4-(5-{[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 44182307
Furan-2-carboxamide deriv., 5
CID 44236892
N-[4-(5-{[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-5-methylfuran-2-carboxamide
CID 44236893
3-methyl-N-phenyl-N-(3-(piperidin-1-yl)propyl)benzofuran-2-carboxamide
CID 71452341

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzoylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(4-benzoylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide (CID 1287918) is N-[2-(4-benzoylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(4-benzoylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(4-benzoylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide is O=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1cc2ccccc2o1.
What is the InChIKey of N-[2-(4-benzoylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is SWDCBWPLPFVRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c30-25(24-18-20-10-4-7-13-23(20)32-24)27-21-11-5-6-12-22(21)28-14-16-29(17-15-28)26(31)19-8-2-1-3-9-19/h1-13,18H,14-17H2,(H,27,30).
What are the key properties of N-[2-(4-benzoylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide?
N-[2-(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-[2-(4-benzoylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 1287918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).