N-[4-(4-phenylpiperazin-1-yl)butyl]-1-benzofuran-2-carboxamide

C23H27N3O2 — CID 51122451

IUPACN-[4-(4-phenylpiperazin-1-yl)butyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCCCCN1CCN(c2ccccc2)CC1)c1cc2ccccc2o1
InChIInChI=1S/C23H27N3O2/c27-23(22-18-19-8-4-5-11-21(19)28-22)24-12-6-7-13-25-14-16-26(17-15-25)20-9-2-1-3-10-20/h1-5,8-11,18H,6-7,12-17H2,(H,24,27)
InChIKeyCAWFRCMJYFIMLP-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.77
Rot. Bonds7

About N-[4-(4-phenylpiperazin-1-yl)butyl]-1-benzofuran-2-carboxamide

N-[4-(4-phenylpiperazin-1-yl)butyl]-1-benzofuran-2-carboxamide (PubChem CID 51122451) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[4-(4-phenylpiperazin-1-yl)butyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-phenylpiperazin-1-yl)butyl]-1-benzofuran-2-carboxamide
PubChem CID51122451
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[4-(4-phenylpiperazin-1-yl)butyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCCCCN1CCN(c2ccccc2)CC1)c1cc2ccccc2o1
InChIInChI=1S/C23H27N3O2/c27-23(22-18-19-8-4-5-11-21(19)28-22)24-12-6-7-13-25-14-16-26(17-15-25)20-9-2-1-3-10-20/h1-5,8-11,18H,6-7,12-17H2,(H,24,27)
InChIKeyCAWFRCMJYFIMLP-UHFFFAOYSA-N
XLogP3.77
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-phenylpiperazin-1-yl)butyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(4-phenylpiperazin-1-yl)butyl]-1-benzofuran-2-carboxamide (CID 51122451) is N-[4-(4-phenylpiperazin-1-yl)butyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(4-phenylpiperazin-1-yl)butyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(4-phenylpiperazin-1-yl)butyl]-1-benzofuran-2-carboxamide is O=C(NCCCCN1CCN(c2ccccc2)CC1)c1cc2ccccc2o1.
What is the InChIKey of N-[4-(4-phenylpiperazin-1-yl)butyl]-1-benzofuran-2-carboxamide?
The InChIKey is CAWFRCMJYFIMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-23(22-18-19-8-4-5-11-21(19)28-22)24-12-6-7-13-25-14-16-26(17-15-25)20-9-2-1-3-10-20/h1-5,8-11,18H,6-7,12-17H2,(H,24,27).
What are the key properties of N-[4-(4-phenylpiperazin-1-yl)butyl]-1-benzofuran-2-carboxamide?
N-[4-(4-phenylpiperazin-1-yl)butyl]-1-benzofuran-2-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-phenylpiperazin-1-yl)butyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 51122451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).