4-methoxy-3-nitro-N-(2-piperidin-1-ylphenyl)benzamide

C19H21N3O4 — CID 1302703

IUPAC4-methoxy-3-nitro-N-(2-piperidin-1-ylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H21N3O4/c1-26-18-10-9-14(13-17(18)22(24)25)19(23)20-15-7-3-4-8-16(15)21-11-5-2-6-12-21/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,20,23)
InChIKeyOQYWMOXYTFWQFX-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.85
Rot. Bonds5

About 4-methoxy-3-nitro-N-(2-piperidin-1-ylphenyl)benzamide

4-methoxy-3-nitro-N-(2-piperidin-1-ylphenyl)benzamide (PubChem CID 1302703) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 4-methoxy-3-nitro-N-(2-piperidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-methoxy-3-nitro-N-(2-piperidin-1-ylphenyl)benzamide
PubChem CID1302703
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name4-methoxy-3-nitro-N-(2-piperidin-1-ylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H21N3O4/c1-26-18-10-9-14(13-17(18)22(24)25)19(23)20-15-7-3-4-8-16(15)21-11-5-2-6-12-21/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,20,23)
InChIKeyOQYWMOXYTFWQFX-UHFFFAOYSA-N
XLogP3.85
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.85
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 4-methoxy-3-nitro-N-(2-piperidin-1-ylphenyl)benzamide?
The IUPAC name of 4-methoxy-3-nitro-N-(2-piperidin-1-ylphenyl)benzamide (CID 1302703) is 4-methoxy-3-nitro-N-(2-piperidin-1-ylphenyl)benzamide.
What is the SMILES notation for 4-methoxy-3-nitro-N-(2-piperidin-1-ylphenyl)benzamide?
The canonical SMILES for 4-methoxy-3-nitro-N-(2-piperidin-1-ylphenyl)benzamide is COc1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1[N+](=O)[O-].
What is the InChIKey of 4-methoxy-3-nitro-N-(2-piperidin-1-ylphenyl)benzamide?
The InChIKey is OQYWMOXYTFWQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-26-18-10-9-14(13-17(18)22(24)25)19(23)20-15-7-3-4-8-16(15)21-11-5-2-6-12-21/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,20,23).
What are the key properties of 4-methoxy-3-nitro-N-(2-piperidin-1-ylphenyl)benzamide?
4-methoxy-3-nitro-N-(2-piperidin-1-ylphenyl)benzamide has a molecular weight of 355.39 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-nitro-N-(2-piperidin-1-ylphenyl)benzamide is sourced from PubChem (CID 1302703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).