1-(3-nitro-4-pyridinyl)piperidin-4-one

C10H11N3O3 — CID 28889589

IUPAC1-(3-nitro-4-pyridinyl)piperidin-4-one
SMILESO=C1CCN(c2ccncc2[N+](=O)[O-])CC1
InChIInChI=1S/C10H11N3O3/c14-8-2-5-12(6-3-8)9-1-4-11-7-10(9)13(15)16/h1,4,7H,2-3,5-6H2
InChIKeyMKNNPVVQZHCFHI-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.16
Rot. Bonds2

About 1-(3-nitro-4-pyridinyl)piperidin-4-one

1-(3-nitro-4-pyridinyl)piperidin-4-one (PubChem CID 28889589) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 1-(3-nitro-4-pyridinyl)piperidin-4-one.

Molecular Properties

Compound Name1-(3-nitro-4-pyridinyl)piperidin-4-one
PubChem CID28889589
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name1-(3-nitro-4-pyridinyl)piperidin-4-one
SMILESO=C1CCN(c2ccncc2[N+](=O)[O-])CC1
InChIInChI=1S/C10H11N3O3/c14-8-2-5-12(6-3-8)9-1-4-11-7-10(9)13(15)16/h1,4,7H,2-3,5-6H2
InChIKeyMKNNPVVQZHCFHI-UHFFFAOYSA-N
XLogP1.16
TPSA76.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.16
H-Bond Donors ≤ 50
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-[1-(3-nitro-4-pyridinyl)piperidin-4-yl]ethanol
CID 113234220
2-(3-nitro-4-pyridinyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524482
1-(4-bromo-2-nitrophenyl)piperidin-4-one
CID 24709544
2-amino-1-[4-(3-nitro-4-pyridinyl)piperazin-1-yl]butan-1-one
CID 61260155
N-methyl-1-(3-nitro-4-pyridinyl)pyrrolidin-3-amine
CID 115300967
3-methyl-1-(3-nitro-4-pyridinyl)piperidine-3-carboxylic acid
CID 63136298
3-(3-nitro-4-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane
CID 115314559
1-(4-methyl-3-pyridinyl)piperidin-4-one
CID 63327430
tert-butyl 3-(3-nitro-4-pyridinyl)-1,3-diazinane-1-carboxylate
CID 59332233
2-[1-(3-nitro-4-pyridinyl)piperidin-4-yl]oxyacetic acid
CID 63904871
(3S,4R)-1-(3-nitro-4-pyridinyl)-4-pyrrolidin-1-ylpyrrolidin-3-ol
CID 124734466
1-(5-fluoro-2-nitrophenyl)piperidin-4-one
CID 62377786

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitro-4-pyridinyl)piperidin-4-one?
The IUPAC name of 1-(3-nitro-4-pyridinyl)piperidin-4-one (CID 28889589) is 1-(3-nitro-4-pyridinyl)piperidin-4-one.
What is the SMILES notation for 1-(3-nitro-4-pyridinyl)piperidin-4-one?
The canonical SMILES for 1-(3-nitro-4-pyridinyl)piperidin-4-one is O=C1CCN(c2ccncc2[N+](=O)[O-])CC1.
What is the InChIKey of 1-(3-nitro-4-pyridinyl)piperidin-4-one?
The InChIKey is MKNNPVVQZHCFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c14-8-2-5-12(6-3-8)9-1-4-11-7-10(9)13(15)16/h1,4,7H,2-3,5-6H2.
What are the key properties of 1-(3-nitro-4-pyridinyl)piperidin-4-one?
1-(3-nitro-4-pyridinyl)piperidin-4-one has a molecular weight of 221.22 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitro-4-pyridinyl)piperidin-4-one is sourced from PubChem (CID 28889589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).