1-[2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetyl]piperidin-4-one

C13H15N3O5 — CID 62098311

IUPAC1-[2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetyl]piperidin-4-one
SMILESCc1ccc(OCC(=O)N2CCC(=O)CC2)c([N+](=O)[O-])n1
InChIInChI=1S/C13H15N3O5/c1-9-2-3-11(13(14-9)16(19)20)21-8-12(18)15-6-4-10(17)5-7-15/h2-3H,4-8H2,1H3
InChIKeyKWNREZVQBFULRR-UHFFFAOYSA-N
MW293.28 g/mol
LogP0.87
Rot. Bonds4

About 1-[2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetyl]piperidin-4-one

1-[2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetyl]piperidin-4-one (PubChem CID 62098311) has the molecular formula C13H15N3O5 and a molecular weight of 293.28 g/mol. Its IUPAC name is 1-[2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetyl]piperidin-4-one
PubChem CID62098311
Molecular FormulaC13H15N3O5
Molecular Weight293.28 g/mol
Exact Mass293.10
IUPAC Name1-[2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetyl]piperidin-4-one
SMILESCc1ccc(OCC(=O)N2CCC(=O)CC2)c([N+](=O)[O-])n1
InChIInChI=1S/C13H15N3O5/c1-9-2-3-11(13(14-9)16(19)20)21-8-12(18)15-6-4-10(17)5-7-15/h2-3H,4-8H2,1H3
InChIKeyKWNREZVQBFULRR-UHFFFAOYSA-N
XLogP0.87
TPSA102.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-bromo-5-nitrophenoxy)acetyl]piperidin-4-one
CID 103011041
1-cyclohexyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone
CID 115576386
1-[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]piperidin-4-one
CID 110498338
butyl 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetate
CID 60626235
1-(2-bromophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone
CID 60626225
2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-pentan-2-ylacetamide
CID 3882767
7-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 5028416
N-(2,5-dimethylphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
CID 4788672
N-[4-(dimethylamino)phenyl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
CID 3969167
2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2,4,5-trichlorophenyl)acetamide
CID 4587350
1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone
CID 40940440
1-[2-(3,5-dimethylphenoxy)acetyl]piperidin-4-one
CID 39361344

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetyl]piperidin-4-one?
The IUPAC name of 1-[2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetyl]piperidin-4-one (CID 62098311) is 1-[2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetyl]piperidin-4-one.
What is the SMILES notation for 1-[2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetyl]piperidin-4-one?
The canonical SMILES for 1-[2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetyl]piperidin-4-one is Cc1ccc(OCC(=O)N2CCC(=O)CC2)c([N+](=O)[O-])n1.
What is the InChIKey of 1-[2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetyl]piperidin-4-one?
The InChIKey is KWNREZVQBFULRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O5/c1-9-2-3-11(13(14-9)16(19)20)21-8-12(18)15-6-4-10(17)5-7-15/h2-3H,4-8H2,1H3.
What are the key properties of 1-[2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetyl]piperidin-4-one?
1-[2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetyl]piperidin-4-one has a molecular weight of 293.28 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetyl]piperidin-4-one is sourced from PubChem (CID 62098311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).