2-(2-nitrophenoxy)-N-piperidin-3-ylacetamide

C13H17N3O4 — CID 119426166

IUPAC2-(2-nitrophenoxy)-N-piperidin-3-ylacetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NC1CCCNC1
InChIInChI=1S/C13H17N3O4/c17-13(15-10-4-3-7-14-8-10)9-20-12-6-2-1-5-11(12)16(18)19/h1-2,5-6,10,14H,3-4,7-9H2,(H,15,17)
InChIKeyROCWRLHWMNYFMH-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.84
Rot. Bonds5

About 2-(2-nitrophenoxy)-N-piperidin-3-ylacetamide

2-(2-nitrophenoxy)-N-piperidin-3-ylacetamide (PubChem CID 119426166) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(2-nitrophenoxy)-N-piperidin-3-ylacetamide.

Molecular Properties

Compound Name2-(2-nitrophenoxy)-N-piperidin-3-ylacetamide
PubChem CID119426166
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-(2-nitrophenoxy)-N-piperidin-3-ylacetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NC1CCCNC1
InChIInChI=1S/C13H17N3O4/c17-13(15-10-4-3-7-14-8-10)9-20-12-6-2-1-5-11(12)16(18)19/h1-2,5-6,10,14H,3-4,7-9H2,(H,15,17)
InChIKeyROCWRLHWMNYFMH-UHFFFAOYSA-N
XLogP0.84
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.84
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

3-(2-nitrophenoxy)-N-piperidin-3-ylpropanamide
CID 119427117
2-(2-nitrophenoxy)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119556766
N-(4-aminocyclohexyl)-2-(2-nitrophenoxy)acetamide
CID 119476242
2-(2-phenylphenoxy)-N-piperidin-3-ylacetamide;hydrochloride
CID 119424815
N-piperidin-3-yl-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
CID 119425290
2-naphthalen-1-yloxy-N-piperidin-3-ylacetamide;hydrochloride
CID 119426850
3-(2-nitrophenoxy)-N-piperidin-4-ylpropanamide
CID 119388489
2-(2-tert-butylphenoxy)-N-piperidin-3-ylacetamide;hydrochloride
CID 119426969
3-(4-chloro-2-nitrophenoxy)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119426675
2-(2-nitrophenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2633121
N-methyl-2-(2-nitrophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119442473
2-(2-nitrophenoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
CID 124780220

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenoxy)-N-piperidin-3-ylacetamide?
The IUPAC name of 2-(2-nitrophenoxy)-N-piperidin-3-ylacetamide (CID 119426166) is 2-(2-nitrophenoxy)-N-piperidin-3-ylacetamide.
What is the SMILES notation for 2-(2-nitrophenoxy)-N-piperidin-3-ylacetamide?
The canonical SMILES for 2-(2-nitrophenoxy)-N-piperidin-3-ylacetamide is O=C(COc1ccccc1[N+](=O)[O-])NC1CCCNC1.
What is the InChIKey of 2-(2-nitrophenoxy)-N-piperidin-3-ylacetamide?
The InChIKey is ROCWRLHWMNYFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c17-13(15-10-4-3-7-14-8-10)9-20-12-6-2-1-5-11(12)16(18)19/h1-2,5-6,10,14H,3-4,7-9H2,(H,15,17).
What are the key properties of 2-(2-nitrophenoxy)-N-piperidin-3-ylacetamide?
2-(2-nitrophenoxy)-N-piperidin-3-ylacetamide has a molecular weight of 279.30 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenoxy)-N-piperidin-3-ylacetamide is sourced from PubChem (CID 119426166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).