5-nitro-2-phenoxy-N-piperidin-4-ylbenzamide

C18H19N3O4 — CID 119386925

IUPAC5-nitro-2-phenoxy-N-piperidin-4-ylbenzamide
SMILESO=C(NC1CCNCC1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1
InChIInChI=1S/C18H19N3O4/c22-18(20-13-8-10-19-11-9-13)16-12-14(21(23)24)6-7-17(16)25-15-4-2-1-3-5-15/h1-7,12-13,19H,8-11H2,(H,20,22)
InChIKeyCEINMDBDILJABI-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.87
Rot. Bonds5

About 5-nitro-2-phenoxy-N-piperidin-4-ylbenzamide

5-nitro-2-phenoxy-N-piperidin-4-ylbenzamide (PubChem CID 119386925) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 5-nitro-2-phenoxy-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name5-nitro-2-phenoxy-N-piperidin-4-ylbenzamide
PubChem CID119386925
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name5-nitro-2-phenoxy-N-piperidin-4-ylbenzamide
SMILESO=C(NC1CCNCC1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1
InChIInChI=1S/C18H19N3O4/c22-18(20-13-8-10-19-11-9-13)16-12-14(21(23)24)6-7-17(16)25-15-4-2-1-3-5-15/h1-7,12-13,19H,8-11H2,(H,20,22)
InChIKeyCEINMDBDILJABI-UHFFFAOYSA-N
XLogP2.87
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
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

N-cyclopropyl-2-methoxy-5-nitrobenzamide
CID 9210144
5-nitro-2-phenoxybenzoyl chloride
CID 21406549
N-(2-fluoro-5-nitrophenyl)-5-nitro-2-phenoxybenzamide
CID 60528366
3-phenoxy-N-piperidin-4-ylbenzamide
CID 71730778
2-butoxy-N-cyclohexyl-5-nitrobenzamide
CID 139678176
5-nitro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-phenoxybenzamide
CID 55758538
5-nitro-2-phenoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 55752798
2-(cyclopentylcarbamoyl)-4-nitrobenzoic acid
CID 110839554
N-(5-bromo-2-pyridinyl)-5-nitro-2-phenoxybenzamide
CID 52636946
1-(5-nitro-2-phenoxybenzoyl)-N-phenylpiperidine-4-carboxamide
CID 52637096
N-[4-[[4-(dimethylamino)-6-methyl-2-pyridinyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide
CID 11685017
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-nitro-2-phenoxybenzamide
CID 49169005

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-phenoxy-N-piperidin-4-ylbenzamide?
The IUPAC name of 5-nitro-2-phenoxy-N-piperidin-4-ylbenzamide (CID 119386925) is 5-nitro-2-phenoxy-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 5-nitro-2-phenoxy-N-piperidin-4-ylbenzamide?
The canonical SMILES for 5-nitro-2-phenoxy-N-piperidin-4-ylbenzamide is O=C(NC1CCNCC1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1.
What is the InChIKey of 5-nitro-2-phenoxy-N-piperidin-4-ylbenzamide?
The InChIKey is CEINMDBDILJABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c22-18(20-13-8-10-19-11-9-13)16-12-14(21(23)24)6-7-17(16)25-15-4-2-1-3-5-15/h1-7,12-13,19H,8-11H2,(H,20,22).
What are the key properties of 5-nitro-2-phenoxy-N-piperidin-4-ylbenzamide?
5-nitro-2-phenoxy-N-piperidin-4-ylbenzamide has a molecular weight of 341.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-phenoxy-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 119386925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).