2-nitro-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

C11H14N4O3 — CID 108814544

IUPAC2-nitro-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(C[N+](=O)[O-])N1CCN(c2ccccn2)CC1
InChIInChI=1S/C11H14N4O3/c16-11(9-15(17)18)14-7-5-13(6-8-14)10-3-1-2-4-12-10/h1-4H,5-9H2
InChIKeyRVYBYNYLTRUZOV-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.01
Rot. Bonds3

About 2-nitro-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

2-nitro-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 108814544) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-nitro-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-nitro-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID108814544
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name2-nitro-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(C[N+](=O)[O-])N1CCN(c2ccccn2)CC1
InChIInChI=1S/C11H14N4O3/c16-11(9-15(17)18)14-7-5-13(6-8-14)10-3-1-2-4-12-10/h1-4H,5-9H2
InChIKeyRVYBYNYLTRUZOV-UHFFFAOYSA-N
XLogP0.01
TPSA79.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.01
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-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
(2-nitrophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 16546256
2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110696951
3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 17217465
2-(3-nitrophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 30834037
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257
2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120703285
3-(cyclopropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60842626
1-(4-pyridin-2-ylpiperazin-1-yl)-2-(thian-4-yl)ethanone
CID 110854887
2-(4-methyl-2-nitrophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 24680632
3-nitro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 7974770

Frequently Asked Questions

What is the IUPAC name of 2-nitro-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-nitro-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 108814544) is 2-nitro-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-nitro-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-nitro-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is O=C(C[N+](=O)[O-])N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-nitro-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is RVYBYNYLTRUZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c16-11(9-15(17)18)14-7-5-13(6-8-14)10-3-1-2-4-12-10/h1-4H,5-9H2.
What are the key properties of 2-nitro-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
2-nitro-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 250.26 g/mol, XLogP of 0.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 108814544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).