N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-nitrobenzamide

C19H19N3O5 — CID 7687880

IUPACN-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-nitrobenzamide
SMILESCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1N1CCCCC1=O
InChIInChI=1S/C19H19N3O5/c1-27-17-10-7-14(12-16(17)21-11-3-2-4-18(21)23)20-19(24)13-5-8-15(9-6-13)22(25)26/h5-10,12H,2-4,11H2,1H3,(H,20,24)
InChIKeyQPDLATLFUFYBOD-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.37
Rot. Bonds5

About N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-nitrobenzamide

N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-nitrobenzamide (PubChem CID 7687880) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-nitrobenzamide
PubChem CID7687880
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC NameN-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-nitrobenzamide
SMILESCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1N1CCCCC1=O
InChIInChI=1S/C19H19N3O5/c1-27-17-10-7-14(12-16(17)21-11-3-2-4-18(21)23)20-19(24)13-5-8-15(9-6-13)22(25)26/h5-10,12H,2-4,11H2,1H3,(H,20,24)
InChIKeyQPDLATLFUFYBOD-UHFFFAOYSA-N
XLogP3.37
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.37
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-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-nitrobenzamide?
The IUPAC name of N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-nitrobenzamide (CID 7687880) is N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-nitrobenzamide.
What is the SMILES notation for N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-nitrobenzamide?
The canonical SMILES for N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-nitrobenzamide is COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1N1CCCCC1=O.
What is the InChIKey of N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-nitrobenzamide?
The InChIKey is QPDLATLFUFYBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-27-17-10-7-14(12-16(17)21-11-3-2-4-18(21)23)20-19(24)13-5-8-15(9-6-13)22(25)26/h5-10,12H,2-4,11H2,1H3,(H,20,24).
What are the key properties of N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-nitrobenzamide?
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-nitrobenzamide has a molecular weight of 369.38 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-nitrobenzamide is sourced from PubChem (CID 7687880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).