N-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide

C19H22N4O4 — CID 2942448

IUPACN-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide
SMILESCOc1cccc(NC(=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C19H22N4O4/c1-21-8-10-22(11-9-21)17-7-6-14(12-18(17)23(25)26)19(24)20-15-4-3-5-16(13-15)27-2/h3-7,12-13H,8-11H2,1-2H3,(H,20,24)
InChIKeyLYHDHDQOYKWABN-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.61
Rot. Bonds5

About N-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide

N-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide (PubChem CID 2942448) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide
PubChem CID2942448
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC NameN-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide
SMILESCOc1cccc(NC(=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C19H22N4O4/c1-21-8-10-22(11-9-21)17-7-6-14(12-18(17)23(25)26)19(24)20-15-4-3-5-16(13-15)27-2/h3-7,12-13H,8-11H2,1-2H3,(H,20,24)
InChIKeyLYHDHDQOYKWABN-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide 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 N-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide?
The IUPAC name of N-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide (CID 2942448) is N-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide is COc1cccc(NC(=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide?
The InChIKey is LYHDHDQOYKWABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-21-8-10-22(11-9-21)17-7-6-14(12-18(17)23(25)26)19(24)20-15-4-3-5-16(13-15)27-2/h3-7,12-13H,8-11H2,1-2H3,(H,20,24).
What are the key properties of N-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide?
N-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide 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 N-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide is sourced from PubChem (CID 2942448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).