2-(4-benzhydrylpiperazin-1-yl)-N-(4-nitrophenyl)acetamide

C25H26N4O3 — CID 22198313

IUPAC2-(4-benzhydrylpiperazin-1-yl)-N-(4-nitrophenyl)acetamide
SMILESO=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C25H26N4O3/c30-24(26-22-11-13-23(14-12-22)29(31)32)19-27-15-17-28(18-16-27)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,25H,15-19H2,(H,26,30)
InChIKeyNQLUZFOVSOYCJS-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.94
Rot. Bonds7

About 2-(4-benzhydrylpiperazin-1-yl)-N-(4-nitrophenyl)acetamide

2-(4-benzhydrylpiperazin-1-yl)-N-(4-nitrophenyl)acetamide (PubChem CID 22198313) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-(4-benzhydrylpiperazin-1-yl)-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzhydrylpiperazin-1-yl)-N-(4-nitrophenyl)acetamide
PubChem CID22198313
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name2-(4-benzhydrylpiperazin-1-yl)-N-(4-nitrophenyl)acetamide
SMILESO=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C25H26N4O3/c30-24(26-22-11-13-23(14-12-22)29(31)32)19-27-15-17-28(18-16-27)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,25H,15-19H2,(H,26,30)
InChIKeyNQLUZFOVSOYCJS-UHFFFAOYSA-N
XLogP3.94
TPSA78.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 2933426
2-(4-benzhydrylpiperazin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 4642015
2-(azocan-1-yl)-N-(4-nitrophenyl)acetamide
CID 8583783
2-(4-benzhydrylpiperazin-1-yl)-1-(4-nitrophenyl)ethanol
CID 10319822
2-(4-benzhydrylpiperazin-1-yl)-N-(2-cyanophenyl)acetamide
CID 2653850
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide
CID 8530335
2-[4-[2-(3-nitroanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-nitrophenyl)acetamide;hydrochloride
CID 175654144
N-(4-methylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30722668
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide
CID 8703723
2-(4-benzhydrylpiperazin-1-yl)-N-[(2R)-butan-2-yl]acetamide
CID 8902107
2-[2-(4-nitroanilino)-2-oxoethyl]sulfanylbenzoic acid
CID 5298939
N-(4-nitrophenyl)-2-phenylsulfanylacetamide
CID 3879245

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-N-(4-nitrophenyl)acetamide (CID 22198313) is 2-(4-benzhydrylpiperazin-1-yl)-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-benzhydrylpiperazin-1-yl)-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-benzhydrylpiperazin-1-yl)-N-(4-nitrophenyl)acetamide is O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-benzhydrylpiperazin-1-yl)-N-(4-nitrophenyl)acetamide?
The InChIKey is NQLUZFOVSOYCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c30-24(26-22-11-13-23(14-12-22)29(31)32)19-27-15-17-28(18-16-27)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,25H,15-19H2,(H,26,30).
What are the key properties of 2-(4-benzhydrylpiperazin-1-yl)-N-(4-nitrophenyl)acetamide?
2-(4-benzhydrylpiperazin-1-yl)-N-(4-nitrophenyl)acetamide has a molecular weight of 430.51 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylpiperazin-1-yl)-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 22198313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).