4-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2,1,3-benzoxadiazol-7-amine

C15H21N5O3 — CID 11580555

IUPAC4-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2,1,3-benzoxadiazol-7-amine
SMILESCC1(C)CC(Nc2ccc([N+](=O)[O-])c3nonc23)CC(C)(C)N1
InChIInChI=1S/C15H21N5O3/c1-14(2)7-9(8-15(3,4)19-14)16-10-5-6-11(20(21)22)13-12(10)17-23-18-13/h5-6,9,16,19H,7-8H2,1-4H3
InChIKeyXUVZHLQGVVSPAP-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.85
Rot. Bonds3

About 4-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2,1,3-benzoxadiazol-7-amine

4-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2,1,3-benzoxadiazol-7-amine (PubChem CID 11580555) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 4-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2,1,3-benzoxadiazol-7-amine.

Molecular Properties

Compound Name4-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2,1,3-benzoxadiazol-7-amine
PubChem CID11580555
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name4-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2,1,3-benzoxadiazol-7-amine
SMILESCC1(C)CC(Nc2ccc([N+](=O)[O-])c3nonc23)CC(C)(C)N1
InChIInChI=1S/C15H21N5O3/c1-14(2)7-9(8-15(3,4)19-14)16-10-5-6-11(20(21)22)13-12(10)17-23-18-13/h5-6,9,16,19H,7-8H2,1-4H3
InChIKeyXUVZHLQGVVSPAP-UHFFFAOYSA-N
XLogP2.85
TPSA106.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.85
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

N-(4-methylcyclohexyl)-4-nitro-2,1,3-benzoxadiazol-7-amine
CID 43394998
N-(3-methoxy-2,2-dimethylcyclobutyl)-4-nitro-2,1,3-benzoxadiazol-7-amine
CID 103742824
N-(1-methylcyclopentyl)-4-nitro-2,1,3-benzoxadiazol-7-amine
CID 61368890
1-[3-nitro-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]phenyl]ethanone
CID 18144595
N-(4-nitro-2,1,3-benzoxadiazol-7-yl)tellurohydroxylamine
CID 174701841
N-[(1-methylcyclobutyl)methyl]-4-nitro-2,1,3-benzoxadiazol-7-amine
CID 103736962
N-ethyl-4-nitro-2,1,3-benzoxadiazol-7-amine
CID 13452090
3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]piperidin-2-one
CID 62060382
(2R,3S,4R,6R)-2-(hydroxymethyl)-6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]oxane-3,4-diol
CID 70673677
N-(1,3-dimethylpiperidin-4-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine
CID 115598638
4-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]oxolane-3-carboxylic acid
CID 66238707
N-(cyclobutylmethyl)-4-nitro-2,1,3-benzoxadiazol-7-amine
CID 43329354

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2,1,3-benzoxadiazol-7-amine?
The IUPAC name of 4-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2,1,3-benzoxadiazol-7-amine (CID 11580555) is 4-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2,1,3-benzoxadiazol-7-amine.
What is the SMILES notation for 4-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2,1,3-benzoxadiazol-7-amine?
The canonical SMILES for 4-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2,1,3-benzoxadiazol-7-amine is CC1(C)CC(Nc2ccc([N+](=O)[O-])c3nonc23)CC(C)(C)N1.
What is the InChIKey of 4-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2,1,3-benzoxadiazol-7-amine?
The InChIKey is XUVZHLQGVVSPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-14(2)7-9(8-15(3,4)19-14)16-10-5-6-11(20(21)22)13-12(10)17-23-18-13/h5-6,9,16,19H,7-8H2,1-4H3.
What are the key properties of 4-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2,1,3-benzoxadiazol-7-amine?
4-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2,1,3-benzoxadiazol-7-amine has a molecular weight of 319.37 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2,1,3-benzoxadiazol-7-amine is sourced from PubChem (CID 11580555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).