N-(2-fluoro-4-nitrophenyl)-2-piperidin-4-yloxyacetamide

C13H16FN3O4 — CID 63877274

IUPACN-(2-fluoro-4-nitrophenyl)-2-piperidin-4-yloxyacetamide
SMILESO=C(COC1CCNCC1)Nc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C13H16FN3O4/c14-11-7-9(17(19)20)1-2-12(11)16-13(18)8-21-10-3-5-15-6-4-10/h1-2,7,10,15H,3-6,8H2,(H,16,18)
InChIKeyFZGHFKZHPAIWAW-UHFFFAOYSA-N
MW297.29 g/mol
LogP1.44
Rot. Bonds5

About N-(2-fluoro-4-nitrophenyl)-2-piperidin-4-yloxyacetamide

N-(2-fluoro-4-nitrophenyl)-2-piperidin-4-yloxyacetamide (PubChem CID 63877274) has the molecular formula C13H16FN3O4 and a molecular weight of 297.29 g/mol. Its IUPAC name is N-(2-fluoro-4-nitrophenyl)-2-piperidin-4-yloxyacetamide.

Molecular Properties

Compound NameN-(2-fluoro-4-nitrophenyl)-2-piperidin-4-yloxyacetamide
PubChem CID63877274
Molecular FormulaC13H16FN3O4
Molecular Weight297.29 g/mol
Exact Mass297.11
IUPAC NameN-(2-fluoro-4-nitrophenyl)-2-piperidin-4-yloxyacetamide
SMILESO=C(COC1CCNCC1)Nc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C13H16FN3O4/c14-11-7-9(17(19)20)1-2-12(11)16-13(18)8-21-10-3-5-15-6-4-10/h1-2,7,10,15H,3-6,8H2,(H,16,18)
InChIKeyFZGHFKZHPAIWAW-UHFFFAOYSA-N
XLogP1.44
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 51.44
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-(2-methyl-4-nitrophenyl)-2-piperidin-4-yloxyacetamide
CID 63876721
N-(2-fluoro-4-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605418
2-(1,4-diazepan-1-yl)-N-(2-fluoro-4-nitrophenyl)acetamide
CID 62833639
N-(4-fluorophenyl)-2-piperidin-4-yloxyacetamide
CID 39062765
N-(2-methoxy-4-nitrophenyl)-2-piperidin-4-ylacetamide
CID 61029592
(2R)-N-(2-fluoro-4-nitrophenyl)piperidine-2-carboxamide
CID 104913764
N-(4-fluoro-3-methoxyphenyl)-2-piperidin-4-yloxyacetamide
CID 114839705
4-amino-N-(2-fluoro-4-nitrophenyl)-3-methoxybutanamide
CID 103155684
N-(2-methyl-5-nitrophenyl)-2-piperidin-4-ylacetamide
CID 61029345
4-methyl-3-[(2-piperidin-4-yloxyacetyl)amino]benzoic acid
CID 63876200
3-(2-fluoro-4-nitrophenoxy)pyrrolidine
CID 62328282
2-piperidin-4-yloxy-N-(2-propan-2-ylphenyl)acetamide
CID 63877390

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-nitrophenyl)-2-piperidin-4-yloxyacetamide?
The IUPAC name of N-(2-fluoro-4-nitrophenyl)-2-piperidin-4-yloxyacetamide (CID 63877274) is N-(2-fluoro-4-nitrophenyl)-2-piperidin-4-yloxyacetamide.
What is the SMILES notation for N-(2-fluoro-4-nitrophenyl)-2-piperidin-4-yloxyacetamide?
The canonical SMILES for N-(2-fluoro-4-nitrophenyl)-2-piperidin-4-yloxyacetamide is O=C(COC1CCNCC1)Nc1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of N-(2-fluoro-4-nitrophenyl)-2-piperidin-4-yloxyacetamide?
The InChIKey is FZGHFKZHPAIWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O4/c14-11-7-9(17(19)20)1-2-12(11)16-13(18)8-21-10-3-5-15-6-4-10/h1-2,7,10,15H,3-6,8H2,(H,16,18).
What are the key properties of N-(2-fluoro-4-nitrophenyl)-2-piperidin-4-yloxyacetamide?
N-(2-fluoro-4-nitrophenyl)-2-piperidin-4-yloxyacetamide has a molecular weight of 297.29 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-nitrophenyl)-2-piperidin-4-yloxyacetamide is sourced from PubChem (CID 63877274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).