N-(2-benzoyl-4-nitrophenyl)-2-(4-methylpiperazin-1-yl)acetamide

C20H22N4O4 — CID 2941227

IUPACN-(2-benzoyl-4-nitrophenyl)-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)CC1
InChIInChI=1S/C20H22N4O4/c1-22-9-11-23(12-10-22)14-19(25)21-18-8-7-16(24(27)28)13-17(18)20(26)15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,21,25)
InChIKeyKXNCGGOLFIEZLO-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.01
Rot. Bonds6

About N-(2-benzoyl-4-nitrophenyl)-2-(4-methylpiperazin-1-yl)acetamide

N-(2-benzoyl-4-nitrophenyl)-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 2941227) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-(2-benzoyl-4-nitrophenyl)-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-nitrophenyl)-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID2941227
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN-(2-benzoyl-4-nitrophenyl)-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)CC1
InChIInChI=1S/C20H22N4O4/c1-22-9-11-23(12-10-22)14-19(25)21-18-8-7-16(24(27)28)13-17(18)20(26)15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,21,25)
InChIKeyKXNCGGOLFIEZLO-UHFFFAOYSA-N
XLogP2.01
TPSA95.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-nitrophenyl)-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-benzoyl-4-nitrophenyl)-2-(4-methylpiperazin-1-yl)acetamide (CID 2941227) is N-(2-benzoyl-4-nitrophenyl)-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-benzoyl-4-nitrophenyl)-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-benzoyl-4-nitrophenyl)-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)CC1.
What is the InChIKey of N-(2-benzoyl-4-nitrophenyl)-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is KXNCGGOLFIEZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-22-9-11-23(12-10-22)14-19(25)21-18-8-7-16(24(27)28)13-17(18)20(26)15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,21,25).
What are the key properties of N-(2-benzoyl-4-nitrophenyl)-2-(4-methylpiperazin-1-yl)acetamide?
N-(2-benzoyl-4-nitrophenyl)-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 382.42 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-nitrophenyl)-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 2941227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).