5-[(5-nitroisoquinolin-8-yl)amino]piperidin-2-one

C14H14N4O3 — CID 103141706

IUPAC5-[(5-nitroisoquinolin-8-yl)amino]piperidin-2-one
SMILESO=C1CCC(Nc2ccc([N+](=O)[O-])c3ccncc23)CN1
InChIInChI=1S/C14H14N4O3/c19-14-4-1-9(7-16-14)17-12-2-3-13(18(20)21)10-5-6-15-8-11(10)12/h2-3,5-6,8-9,17H,1,4,7H2,(H,16,19)
InChIKeyOABNDBDVQYVERK-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.83
Rot. Bonds3

About 5-[(5-nitroisoquinolin-8-yl)amino]piperidin-2-one

5-[(5-nitroisoquinolin-8-yl)amino]piperidin-2-one (PubChem CID 103141706) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 5-[(5-nitroisoquinolin-8-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name5-[(5-nitroisoquinolin-8-yl)amino]piperidin-2-one
PubChem CID103141706
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name5-[(5-nitroisoquinolin-8-yl)amino]piperidin-2-one
SMILESO=C1CCC(Nc2ccc([N+](=O)[O-])c3ccncc23)CN1
InChIInChI=1S/C14H14N4O3/c19-14-4-1-9(7-16-14)17-12-2-3-13(18(20)21)10-5-6-15-8-11(10)12/h2-3,5-6,8-9,17H,1,4,7H2,(H,16,19)
InChIKeyOABNDBDVQYVERK-UHFFFAOYSA-N
XLogP1.83
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.83
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

5-[(3-nitro-4-pyridinyl)amino]piperidin-2-one
CID 63318938
N-(3-methylcyclopentyl)-5-nitroisoquinolin-8-amine
CID 103141963
N-cyclopent-3-en-1-yl-8-nitroisoquinolin-5-amine
CID 115695558
5-(5-bromo-2-nitroanilino)piperidin-2-one
CID 65343295
3-nitro-4-[(6-oxopiperidin-3-yl)amino]benzoic acid
CID 63661070
5-nitro-N-(pyrrolidin-3-ylmethyl)isoquinolin-8-amine
CID 103142263
N-(1,1-dioxothiolan-3-yl)-8-nitroisoquinolin-5-amine
CID 43386259
5-nitro-N-(piperidin-3-ylmethyl)isoquinolin-8-amine
CID 103142047
5-(2-chloro-4-nitroanilino)piperidin-2-one
CID 62490251
5-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]piperidin-2-one
CID 80834232
4-[(5-nitroquinolin-8-yl)amino]pyrrolidin-2-one
CID 46238574
trans-(1S,2S)-2-[(8-nitroisoquinolin-5-yl)amino]cyclohexan-1-ol
CID 133495382

Frequently Asked Questions

What is the IUPAC name of 5-[(5-nitroisoquinolin-8-yl)amino]piperidin-2-one?
The IUPAC name of 5-[(5-nitroisoquinolin-8-yl)amino]piperidin-2-one (CID 103141706) is 5-[(5-nitroisoquinolin-8-yl)amino]piperidin-2-one.
What is the SMILES notation for 5-[(5-nitroisoquinolin-8-yl)amino]piperidin-2-one?
The canonical SMILES for 5-[(5-nitroisoquinolin-8-yl)amino]piperidin-2-one is O=C1CCC(Nc2ccc([N+](=O)[O-])c3ccncc23)CN1.
What is the InChIKey of 5-[(5-nitroisoquinolin-8-yl)amino]piperidin-2-one?
The InChIKey is OABNDBDVQYVERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c19-14-4-1-9(7-16-14)17-12-2-3-13(18(20)21)10-5-6-15-8-11(10)12/h2-3,5-6,8-9,17H,1,4,7H2,(H,16,19).
What are the key properties of 5-[(5-nitroisoquinolin-8-yl)amino]piperidin-2-one?
5-[(5-nitroisoquinolin-8-yl)amino]piperidin-2-one has a molecular weight of 286.29 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-nitroisoquinolin-8-yl)amino]piperidin-2-one is sourced from PubChem (CID 103141706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).