N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide

C13H14N4O5 — CID 135650721

IUPACN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
SMILESO=C1NCCCC1C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C13H14N4O5/c18-11-4-3-9(17(21)22)6-8(11)7-15-16-13(20)10-2-1-5-14-12(10)19/h3-4,6-7,10,18H,1-2,5H2,(H,14,19)(H,16,20)/b15-7+
InChIKeyVPKPCIZZLTZMBZ-VIZOYTHASA-N
MW306.28 g/mol
LogP0.28
Rot. Bonds4

About N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide

N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide (PubChem CID 135650721) has the molecular formula C13H14N4O5 and a molecular weight of 306.28 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
PubChem CID135650721
Molecular FormulaC13H14N4O5
Molecular Weight306.28 g/mol
Exact Mass306.10
IUPAC NameN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
SMILESO=C1NCCCC1C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C13H14N4O5/c18-11-4-3-9(17(21)22)6-8(11)7-15-16-13(20)10-2-1-5-14-12(10)19/h3-4,6-7,10,18H,1-2,5H2,(H,14,19)(H,16,20)/b15-7+
InChIKeyVPKPCIZZLTZMBZ-VIZOYTHASA-N
XLogP0.28
TPSA133.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-{2-hydroxy-5-nitrobenzylidene}cyclopropanecarbohydrazide
CID 135460591
N'-{2-hydroxy-5-nitrobenzylidene}cyclohexanecarbohydrazide
CID 135401405
4-[2-(2-hydroxy-5-nitrobenzylidene)hydrazino]-N-(2-methylphenyl)-4-oxobutanamide
CID 135425066
N-ethyl-2-[2-(2-hydroxy-5-nitrobenzylidene)hydrazino]-2-oxoacetamide
CID 135438780
N-(4-Fluorophenyl)-3-{N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}propanamide
CID 135439747
1-(4-ethylphenyl)-N'-{2-hydroxy-5-nitrobenzylidene}-5-oxo-3-pyrrolidinecarbohydrazide
CID 135455099
N'-(2-hydroxy-5-nitrobenzylidene)-3-(4-methyl-1-piperazinyl)propanohydrazide
CID 135478397
3-{N'-[(E)-(2-Hydroxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}-N-(3-methylphenyl)propanamide
CID 135497966
3-{N'-[(E)-(2-Hydroxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}-N-(4-methylphenyl)propanamide
CID 135497967
1-[(2-hydroxy-5-nitrobenzylidene)amino]-4,6-dimethyl-2(1H)-pyridinone
CID 135418700
N'-{2-hydroxy-5-nitrobenzylidene}bicyclo[4.1.0]heptane-7-carbohydrazide
CID 135433309
N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]-2-phenylacetohydrazide
CID 135643363

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide (CID 135650721) is N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide is O=C1NCCCC1C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide?
The InChIKey is VPKPCIZZLTZMBZ-VIZOYTHASA-N. The full InChI is InChI=1S/C13H14N4O5/c18-11-4-3-9(17(21)22)6-8(11)7-15-16-13(20)10-2-1-5-14-12(10)19/h3-4,6-7,10,18H,1-2,5H2,(H,14,19)(H,16,20)/b15-7+.
What are the key properties of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide?
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide has a molecular weight of 306.28 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 135650721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).