N-(4-methoxyphenyl)-4-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzamide

C26H28N4O3 — CID 4797797

IUPACN-(4-methoxyphenyl)-4-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)CN3CCN(c4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C26H28N4O3/c1-33-24-13-11-22(12-14-24)28-26(32)20-7-9-21(10-8-20)27-25(31)19-29-15-17-30(18-16-29)23-5-3-2-4-6-23/h2-14H,15-19H2,1H3,(H,27,31)(H,28,32)
InChIKeyJJFORHSGJRAXAP-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.71
Rot. Bonds7

About N-(4-methoxyphenyl)-4-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzamide

N-(4-methoxyphenyl)-4-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzamide (PubChem CID 4797797) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzamide
PubChem CID4797797
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN-(4-methoxyphenyl)-4-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)CN3CCN(c4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C26H28N4O3/c1-33-24-13-11-22(12-14-24)28-26(32)20-7-9-21(10-8-20)27-25(31)19-29-15-17-30(18-16-29)23-5-3-2-4-6-23/h2-14H,15-19H2,1H3,(H,27,31)(H,28,32)
InChIKeyJJFORHSGJRAXAP-UHFFFAOYSA-N
XLogP3.71
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzamide?
The IUPAC name of N-(4-methoxyphenyl)-4-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzamide (CID 4797797) is N-(4-methoxyphenyl)-4-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzamide is COc1ccc(NC(=O)c2ccc(NC(=O)CN3CCN(c4ccccc4)CC3)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzamide?
The InChIKey is JJFORHSGJRAXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-33-24-13-11-22(12-14-24)28-26(32)20-7-9-21(10-8-20)27-25(31)19-29-15-17-30(18-16-29)23-5-3-2-4-6-23/h2-14H,15-19H2,1H3,(H,27,31)(H,28,32).
What are the key properties of N-(4-methoxyphenyl)-4-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzamide?
N-(4-methoxyphenyl)-4-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzamide has a molecular weight of 444.54 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 4797797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).