4-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide

C19H22N4O4 — CID 2966271

IUPAC4-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)cc1
InChIInChI=1S/C19H22N4O4/c1-21-9-11-22(12-10-21)18-8-5-15(23(25)26)13-17(18)20-19(24)14-3-6-16(27-2)7-4-14/h3-8,13H,9-12H2,1-2H3,(H,20,24)
InChIKeyGQYVNBZYWISKPY-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.61
Rot. Bonds5

About 4-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide

4-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide (PubChem CID 2966271) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide
PubChem CID2966271
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name4-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)cc1
InChIInChI=1S/C19H22N4O4/c1-21-9-11-22(12-10-21)18-8-5-15(23(25)26)13-17(18)20-19(24)14-3-6-16(27-2)7-4-14/h3-8,13H,9-12H2,1-2H3,(H,20,24)
InChIKeyGQYVNBZYWISKPY-UHFFFAOYSA-N
XLogP2.61
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide (CID 2966271) is 4-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide is COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide?
The InChIKey is GQYVNBZYWISKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-21-9-11-22(12-10-21)18-8-5-15(23(25)26)13-17(18)20-19(24)14-3-6-16(27-2)7-4-14/h3-8,13H,9-12H2,1-2H3,(H,20,24).
What are the key properties of 4-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide?
4-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide has a molecular weight of 370.41 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide is sourced from PubChem (CID 2966271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).