3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]piperidin-2-one

C11H11N5O4 — CID 62060382

IUPAC3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]piperidin-2-one
SMILESO=C1NCCCC1Nc1ccc([N+](=O)[O-])c2nonc12
InChIInChI=1S/C11H11N5O4/c17-11-7(2-1-5-12-11)13-6-3-4-8(16(18)19)10-9(6)14-20-15-10/h3-4,7,13H,1-2,5H2,(H,12,17)
InChIKeyGVEBKNJGQYMZQV-UHFFFAOYSA-N
MW277.24 g/mol
LogP0.82
Rot. Bonds3

About 3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]piperidin-2-one

3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]piperidin-2-one (PubChem CID 62060382) has the molecular formula C11H11N5O4 and a molecular weight of 277.24 g/mol. Its IUPAC name is 3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]piperidin-2-one
PubChem CID62060382
Molecular FormulaC11H11N5O4
Molecular Weight277.24 g/mol
Exact Mass277.08
IUPAC Name3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]piperidin-2-one
SMILESO=C1NCCCC1Nc1ccc([N+](=O)[O-])c2nonc12
InChIInChI=1S/C11H11N5O4/c17-11-7(2-1-5-12-11)13-6-3-4-8(16(18)19)10-9(6)14-20-15-10/h3-4,7,13H,1-2,5H2,(H,12,17)
InChIKeyGVEBKNJGQYMZQV-UHFFFAOYSA-N
XLogP0.82
TPSA123.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[(8-nitroquinolin-5-yl)amino]piperidin-2-one
CID 62091958
3-[(3-nitro-4-pyridinyl)amino]piperidin-2-one
CID 62094517
3-nitro-4-[(2-oxopiperidin-3-yl)amino]benzaldehyde
CID 83105604
N-(cyclobutylmethyl)-4-nitro-2,1,3-benzoxadiazol-7-amine
CID 43329354
4-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2,1,3-benzoxadiazol-7-amine
CID 104973311
N-(cyclohexylmethyl)-4-nitro-2,1,3-benzoxadiazol-7-amine
CID 43395044
N-(4-methylcyclohexyl)-4-nitro-2,1,3-benzoxadiazol-7-amine
CID 43394998
N-methyl-3-nitro-4-[(2-oxopiperidin-3-yl)amino]benzamide
CID 78983634
4-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2,1,3-benzoxadiazol-7-amine
CID 11580555
N-(4-nitro-2,1,3-benzoxadiazol-7-yl)tellurohydroxylamine
CID 174701841
N-(1-methylcyclopentyl)-4-nitro-2,1,3-benzoxadiazol-7-amine
CID 61368890
N-(3-methoxy-2,2-dimethylcyclobutyl)-4-nitro-2,1,3-benzoxadiazol-7-amine
CID 103742824

Frequently Asked Questions

What is the IUPAC name of 3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]piperidin-2-one?
The IUPAC name of 3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]piperidin-2-one (CID 62060382) is 3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]piperidin-2-one.
What is the SMILES notation for 3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]piperidin-2-one?
The canonical SMILES for 3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]piperidin-2-one is O=C1NCCCC1Nc1ccc([N+](=O)[O-])c2nonc12.
What is the InChIKey of 3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]piperidin-2-one?
The InChIKey is GVEBKNJGQYMZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O4/c17-11-7(2-1-5-12-11)13-6-3-4-8(16(18)19)10-9(6)14-20-15-10/h3-4,7,13H,1-2,5H2,(H,12,17).
What are the key properties of 3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]piperidin-2-one?
3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]piperidin-2-one has a molecular weight of 277.24 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]piperidin-2-one is sourced from PubChem (CID 62060382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).