4-(4-benzoylpiperazin-1-yl)-2-[(benzylamino)methyl]benzamide

C26H28N4O2 — CID 90845052

IUPAC4-(4-benzoylpiperazin-1-yl)-2-[(benzylamino)methyl]benzamide
SMILESNC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1CNCc1ccccc1
InChIInChI=1S/C26H28N4O2/c27-25(31)24-12-11-23(17-22(24)19-28-18-20-7-3-1-4-8-20)29-13-15-30(16-14-29)26(32)21-9-5-2-6-10-21/h1-12,17,28H,13-16,18-19H2,(H2,27,31)
InChIKeyBQNQNWYHTKWMBQ-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.04
Rot. Bonds7

About 4-(4-benzoylpiperazin-1-yl)-2-[(benzylamino)methyl]benzamide

4-(4-benzoylpiperazin-1-yl)-2-[(benzylamino)methyl]benzamide (PubChem CID 90845052) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 4-(4-benzoylpiperazin-1-yl)-2-[(benzylamino)methyl]benzamide.

Molecular Properties

Compound Name4-(4-benzoylpiperazin-1-yl)-2-[(benzylamino)methyl]benzamide
PubChem CID90845052
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name4-(4-benzoylpiperazin-1-yl)-2-[(benzylamino)methyl]benzamide
SMILESNC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1CNCc1ccccc1
InChIInChI=1S/C26H28N4O2/c27-25(31)24-12-11-23(17-22(24)19-28-18-20-7-3-1-4-8-20)29-13-15-30(16-14-29)26(32)21-9-5-2-6-10-21/h1-12,17,28H,13-16,18-19H2,(H2,27,31)
InChIKeyBQNQNWYHTKWMBQ-UHFFFAOYSA-N
XLogP3.04
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4-benzoylpiperazin-1-yl)-2-[(benzylamino)methyl]benzamide 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 4-(4-benzoylpiperazin-1-yl)-2-[(benzylamino)methyl]benzamide?
The IUPAC name of 4-(4-benzoylpiperazin-1-yl)-2-[(benzylamino)methyl]benzamide (CID 90845052) is 4-(4-benzoylpiperazin-1-yl)-2-[(benzylamino)methyl]benzamide.
What is the SMILES notation for 4-(4-benzoylpiperazin-1-yl)-2-[(benzylamino)methyl]benzamide?
The canonical SMILES for 4-(4-benzoylpiperazin-1-yl)-2-[(benzylamino)methyl]benzamide is NC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1CNCc1ccccc1.
What is the InChIKey of 4-(4-benzoylpiperazin-1-yl)-2-[(benzylamino)methyl]benzamide?
The InChIKey is BQNQNWYHTKWMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c27-25(31)24-12-11-23(17-22(24)19-28-18-20-7-3-1-4-8-20)29-13-15-30(16-14-29)26(32)21-9-5-2-6-10-21/h1-12,17,28H,13-16,18-19H2,(H2,27,31).
What are the key properties of 4-(4-benzoylpiperazin-1-yl)-2-[(benzylamino)methyl]benzamide?
4-(4-benzoylpiperazin-1-yl)-2-[(benzylamino)methyl]benzamide has a molecular weight of 428.54 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzoylpiperazin-1-yl)-2-[(benzylamino)methyl]benzamide is sourced from PubChem (CID 90845052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).