N-phenyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide

C25H28N4O — CID 3050165

IUPACN-phenyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide
SMILESO=C(Nc1ccccc1)c1ccccc1NCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H28N4O/c30-25(27-21-9-3-1-4-10-21)23-13-7-8-14-24(23)26-15-16-28-17-19-29(20-18-28)22-11-5-2-6-12-22/h1-14,26H,15-20H2,(H,27,30)
InChIKeyMPXDJKFPLJPBNJ-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.17
Rot. Bonds7

About N-phenyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide

N-phenyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide (PubChem CID 3050165) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is N-phenyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide.

Molecular Properties

Compound NameN-phenyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide
PubChem CID3050165
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC NameN-phenyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide
SMILESO=C(Nc1ccccc1)c1ccccc1NCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H28N4O/c30-25(27-21-9-3-1-4-10-21)23-13-7-8-14-24(23)26-15-16-28-17-19-29(20-18-28)22-11-5-2-6-12-22/h1-14,26H,15-20H2,(H,27,30)
InChIKeyMPXDJKFPLJPBNJ-UHFFFAOYSA-N
XLogP4.17
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide?
The IUPAC name of N-phenyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide (CID 3050165) is N-phenyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide.
What is the SMILES notation for N-phenyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide?
The canonical SMILES for N-phenyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide is O=C(Nc1ccccc1)c1ccccc1NCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of N-phenyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide?
The InChIKey is MPXDJKFPLJPBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c30-25(27-21-9-3-1-4-10-21)23-13-7-8-14-24(23)26-15-16-28-17-19-29(20-18-28)22-11-5-2-6-12-22/h1-14,26H,15-20H2,(H,27,30).
What are the key properties of N-phenyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide?
N-phenyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide has a molecular weight of 400.53 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide is sourced from PubChem (CID 3050165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).