2-(4-phenylpiperazin-1-yl)-N-(3-quinoxalin-2-ylphenyl)acetamide

C26H25N5O — CID 3759112

IUPAC2-(4-phenylpiperazin-1-yl)-N-(3-quinoxalin-2-ylphenyl)acetamide
SMILESO=C(CN1CCN(c2ccccc2)CC1)Nc1cccc(-c2cnc3ccccc3n2)c1
InChIInChI=1S/C26H25N5O/c32-26(19-30-13-15-31(16-14-30)22-9-2-1-3-10-22)28-21-8-6-7-20(17-21)25-18-27-23-11-4-5-12-24(23)29-25/h1-12,17-18H,13-16,19H2,(H,28,32)
InChIKeyKANPWRCCZWMBEX-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.06
Rot. Bonds5

About 2-(4-phenylpiperazin-1-yl)-N-(3-quinoxalin-2-ylphenyl)acetamide

2-(4-phenylpiperazin-1-yl)-N-(3-quinoxalin-2-ylphenyl)acetamide (PubChem CID 3759112) has the molecular formula C26H25N5O and a molecular weight of 423.52 g/mol. Its IUPAC name is 2-(4-phenylpiperazin-1-yl)-N-(3-quinoxalin-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-phenylpiperazin-1-yl)-N-(3-quinoxalin-2-ylphenyl)acetamide
PubChem CID3759112
Molecular FormulaC26H25N5O
Molecular Weight423.52 g/mol
Exact Mass423.21
IUPAC Name2-(4-phenylpiperazin-1-yl)-N-(3-quinoxalin-2-ylphenyl)acetamide
SMILESO=C(CN1CCN(c2ccccc2)CC1)Nc1cccc(-c2cnc3ccccc3n2)c1
InChIInChI=1S/C26H25N5O/c32-26(19-30-13-15-31(16-14-30)22-9-2-1-3-10-22)28-21-8-6-7-20(17-21)25-18-27-23-11-4-5-12-24(23)29-25/h1-12,17-18H,13-16,19H2,(H,28,32)
InChIKeyKANPWRCCZWMBEX-UHFFFAOYSA-N
XLogP4.06
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperazin-1-yl)-N-(3-quinoxalin-2-ylphenyl)acetamide?
The IUPAC name of 2-(4-phenylpiperazin-1-yl)-N-(3-quinoxalin-2-ylphenyl)acetamide (CID 3759112) is 2-(4-phenylpiperazin-1-yl)-N-(3-quinoxalin-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-phenylpiperazin-1-yl)-N-(3-quinoxalin-2-ylphenyl)acetamide?
The canonical SMILES for 2-(4-phenylpiperazin-1-yl)-N-(3-quinoxalin-2-ylphenyl)acetamide is O=C(CN1CCN(c2ccccc2)CC1)Nc1cccc(-c2cnc3ccccc3n2)c1.
What is the InChIKey of 2-(4-phenylpiperazin-1-yl)-N-(3-quinoxalin-2-ylphenyl)acetamide?
The InChIKey is KANPWRCCZWMBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O/c32-26(19-30-13-15-31(16-14-30)22-9-2-1-3-10-22)28-21-8-6-7-20(17-21)25-18-27-23-11-4-5-12-24(23)29-25/h1-12,17-18H,13-16,19H2,(H,28,32).
What are the key properties of 2-(4-phenylpiperazin-1-yl)-N-(3-quinoxalin-2-ylphenyl)acetamide?
2-(4-phenylpiperazin-1-yl)-N-(3-quinoxalin-2-ylphenyl)acetamide has a molecular weight of 423.52 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperazin-1-yl)-N-(3-quinoxalin-2-ylphenyl)acetamide is sourced from PubChem (CID 3759112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).