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

C20H23N3O4 — CID 2942630

IUPACN-(3-methoxyphenyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
SMILESCOc1cccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C20H23N3O4/c1-14-8-10-22(11-9-14)18-7-6-15(12-19(18)23(25)26)20(24)21-16-4-3-5-17(13-16)27-2/h3-7,12-14H,8-11H2,1-2H3,(H,21,24)
InChIKeyFZPZGTIAZCNVFY-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.09
Rot. Bonds5

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

N-(3-methoxyphenyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide (PubChem CID 2942630) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
PubChem CID2942630
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-(3-methoxyphenyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
SMILESCOc1cccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C20H23N3O4/c1-14-8-10-22(11-9-14)18-7-6-15(12-19(18)23(25)26)20(24)21-16-4-3-5-17(13-16)27-2/h3-7,12-14H,8-11H2,1-2H3,(H,21,24)
InChIKeyFZPZGTIAZCNVFY-UHFFFAOYSA-N
XLogP4.09
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.09
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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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide?
The IUPAC name of N-(3-methoxyphenyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide (CID 2942630) is N-(3-methoxyphenyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide is COc1cccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide?
The InChIKey is FZPZGTIAZCNVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-14-8-10-22(11-9-14)18-7-6-15(12-19(18)23(25)26)20(24)21-16-4-3-5-17(13-16)27-2/h3-7,12-14H,8-11H2,1-2H3,(H,21,24).
What are the key properties of N-(3-methoxyphenyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide?
N-(3-methoxyphenyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide has a molecular weight of 369.42 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide is sourced from PubChem (CID 2942630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).