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

C19H19N3O5 — CID 7687475

IUPACN-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide
SMILESCOc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1N1CCCCC1=O
InChIInChI=1S/C19H19N3O5/c1-27-17-12-14(8-9-16(17)21-10-3-2-7-18(21)23)20-19(24)13-5-4-6-15(11-13)22(25)26/h4-6,8-9,11-12H,2-3,7,10H2,1H3,(H,20,24)
InChIKeyZMLOWQOVUURILJ-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.37
Rot. Bonds5

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

N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide (PubChem CID 7687475) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide
PubChem CID7687475
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC NameN-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide
SMILESCOc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1N1CCCCC1=O
InChIInChI=1S/C19H19N3O5/c1-27-17-12-14(8-9-16(17)21-10-3-2-7-18(21)23)20-19(24)13-5-4-6-15(11-13)22(25)26/h4-6,8-9,11-12H,2-3,7,10H2,1H3,(H,20,24)
InChIKeyZMLOWQOVUURILJ-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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Related Compounds

4-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide
CID 55692147
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-phenylbenzamide
CID 7687543
N-(3,4-dimethoxyphenyl)-3-nitrobenzamide
CID 822743
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18140044
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-nitro-2-phenoxybenzamide
CID 55758189
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 7686708
3,4-diethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687515
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7687570
2,6-difluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686672
4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686632
N-(3-amino-4-methoxyphenyl)-3-nitrobenzamide
CID 43599838
3,4,5-triethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 42525029

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide?
The IUPAC name of N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide (CID 7687475) is N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide.
What is the SMILES notation for N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide?
The canonical SMILES for N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide is COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1N1CCCCC1=O.
What is the InChIKey of N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide?
The InChIKey is ZMLOWQOVUURILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-27-17-12-14(8-9-16(17)21-10-3-2-7-18(21)23)20-19(24)13-5-4-6-15(11-13)22(25)26/h4-6,8-9,11-12H,2-3,7,10H2,1H3,(H,20,24).
What are the key properties of N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide?
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-3-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-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide is sourced from PubChem (CID 7687475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).