1-[2-(5-fluoro-2-nitrophenoxy)acetyl]piperidine-4-carboxamide

C14H16FN3O5 — CID 8873562

IUPAC1-[2-(5-fluoro-2-nitrophenoxy)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)COc2cc(F)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H16FN3O5/c15-10-1-2-11(18(21)22)12(7-10)23-8-13(19)17-5-3-9(4-6-17)14(16)20/h1-2,7,9H,3-6,8H2,(H2,16,20)
InChIKeyKIMOIRRLMLUQPL-UHFFFAOYSA-N
MW325.30 g/mol
LogP0.84
Rot. Bonds5

About 1-[2-(5-fluoro-2-nitrophenoxy)acetyl]piperidine-4-carboxamide

1-[2-(5-fluoro-2-nitrophenoxy)acetyl]piperidine-4-carboxamide (PubChem CID 8873562) has the molecular formula C14H16FN3O5 and a molecular weight of 325.30 g/mol. Its IUPAC name is 1-[2-(5-fluoro-2-nitrophenoxy)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(5-fluoro-2-nitrophenoxy)acetyl]piperidine-4-carboxamide
PubChem CID8873562
Molecular FormulaC14H16FN3O5
Molecular Weight325.30 g/mol
Exact Mass325.11
IUPAC Name1-[2-(5-fluoro-2-nitrophenoxy)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)COc2cc(F)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H16FN3O5/c15-10-1-2-11(18(21)22)12(7-10)23-8-13(19)17-5-3-9(4-6-17)14(16)20/h1-2,7,9H,3-6,8H2,(H2,16,20)
InChIKeyKIMOIRRLMLUQPL-UHFFFAOYSA-N
XLogP0.84
TPSA115.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.30
LogP ≤ 50.84
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

1-[2-(2-chloro-4-fluorophenoxy)acetyl]piperidine-4-carboxamide
CID 30504708
2-(5-fluoro-2-nitrophenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 27914613
1-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)ethanone
CID 63903263
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525807
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(2-nitrophenoxy)ethanone
CID 31611260
2-(5-fluoro-2-nitrophenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanone
CID 27905821
2-[5-(aminomethyl)-2-nitrophenoxy]-1-piperidin-1-ylethanone
CID 62116551
4-nitro-3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde
CID 62116413
3-(5-fluoro-2-nitrophenoxy)-1-piperazin-1-ylpropan-1-one
CID 62544403
methyl 1-[2-(4-methyl-2-nitrophenoxy)acetyl]piperidine-4-carboxylate
CID 8561350
1-[2-(2-phenylmethoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 119125469
N-(dicyclopropylmethyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 29469200

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-2-nitrophenoxy)acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(5-fluoro-2-nitrophenoxy)acetyl]piperidine-4-carboxamide (CID 8873562) is 1-[2-(5-fluoro-2-nitrophenoxy)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(5-fluoro-2-nitrophenoxy)acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(5-fluoro-2-nitrophenoxy)acetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)COc2cc(F)ccc2[N+](=O)[O-])CC1.
What is the InChIKey of 1-[2-(5-fluoro-2-nitrophenoxy)acetyl]piperidine-4-carboxamide?
The InChIKey is KIMOIRRLMLUQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O5/c15-10-1-2-11(18(21)22)12(7-10)23-8-13(19)17-5-3-9(4-6-17)14(16)20/h1-2,7,9H,3-6,8H2,(H2,16,20).
What are the key properties of 1-[2-(5-fluoro-2-nitrophenoxy)acetyl]piperidine-4-carboxamide?
1-[2-(5-fluoro-2-nitrophenoxy)acetyl]piperidine-4-carboxamide has a molecular weight of 325.30 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-fluoro-2-nitrophenoxy)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 8873562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).