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

C18H19N3O3 — CID 960419

IUPAC3-nitro-N-(2-piperidin-1-ylphenyl)benzamide
SMILESO=C(Nc1ccccc1N1CCCCC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H19N3O3/c22-18(14-7-6-8-15(13-14)21(23)24)19-16-9-2-3-10-17(16)20-11-4-1-5-12-20/h2-3,6-10,13H,1,4-5,11-12H2,(H,19,22)
InChIKeyOFRXFLCNWAKYTQ-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.84
Rot. Bonds4

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

3-nitro-N-(2-piperidin-1-ylphenyl)benzamide (PubChem CID 960419) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-nitro-N-(2-piperidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3-nitro-N-(2-piperidin-1-ylphenyl)benzamide
PubChem CID960419
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name3-nitro-N-(2-piperidin-1-ylphenyl)benzamide
SMILESO=C(Nc1ccccc1N1CCCCC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H19N3O3/c22-18(14-7-6-8-15(13-14)21(23)24)19-16-9-2-3-10-17(16)20-11-4-1-5-12-20/h2-3,6-10,13H,1,4-5,11-12H2,(H,19,22)
InChIKeyOFRXFLCNWAKYTQ-UHFFFAOYSA-N
XLogP3.84
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-nitro-N-(2-piperidin-1-ylphenyl)benzamide?
The IUPAC name of 3-nitro-N-(2-piperidin-1-ylphenyl)benzamide (CID 960419) is 3-nitro-N-(2-piperidin-1-ylphenyl)benzamide.
What is the SMILES notation for 3-nitro-N-(2-piperidin-1-ylphenyl)benzamide?
The canonical SMILES for 3-nitro-N-(2-piperidin-1-ylphenyl)benzamide is O=C(Nc1ccccc1N1CCCCC1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-N-(2-piperidin-1-ylphenyl)benzamide?
The InChIKey is OFRXFLCNWAKYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-18(14-7-6-8-15(13-14)21(23)24)19-16-9-2-3-10-17(16)20-11-4-1-5-12-20/h2-3,6-10,13H,1,4-5,11-12H2,(H,19,22).
What are the key properties of 3-nitro-N-(2-piperidin-1-ylphenyl)benzamide?
3-nitro-N-(2-piperidin-1-ylphenyl)benzamide has a molecular weight of 325.37 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-(2-piperidin-1-ylphenyl)benzamide is sourced from PubChem (CID 960419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).