2-methoxy-5-nitro-4-piperidin-1-ylbenzohydrazide

C13H18N4O4 — CID 50879598

IUPAC2-methoxy-5-nitro-4-piperidin-1-ylbenzohydrazide
SMILESCOc1cc(N2CCCCC2)c([N+](=O)[O-])cc1C(=O)NN
InChIInChI=1S/C13H18N4O4/c1-21-12-8-10(16-5-3-2-4-6-16)11(17(19)20)7-9(12)13(18)15-14/h7-8H,2-6,14H2,1H3,(H,15,18)
InChIKeyJGYIAQOQGZVBSK-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.20
Rot. Bonds4

About 2-methoxy-5-nitro-4-piperidin-1-ylbenzohydrazide

2-methoxy-5-nitro-4-piperidin-1-ylbenzohydrazide (PubChem CID 50879598) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-methoxy-5-nitro-4-piperidin-1-ylbenzohydrazide.

Molecular Properties

Compound Name2-methoxy-5-nitro-4-piperidin-1-ylbenzohydrazide
PubChem CID50879598
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name2-methoxy-5-nitro-4-piperidin-1-ylbenzohydrazide
SMILESCOc1cc(N2CCCCC2)c([N+](=O)[O-])cc1C(=O)NN
InChIInChI=1S/C13H18N4O4/c1-21-12-8-10(16-5-3-2-4-6-16)11(17(19)20)7-9(12)13(18)15-14/h7-8H,2-6,14H2,1H3,(H,15,18)
InChIKeyJGYIAQOQGZVBSK-UHFFFAOYSA-N
XLogP1.20
TPSA110.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-methoxy-5-nitro-4-piperidin-1-ylbenzoate
CID 50879094
1-(4,5-dimethoxy-2-nitrophenyl)pyrrolidine
CID 616606
ethyl 2-methoxy-4-(4-methylpiperidin-1-yl)-5-nitrobenzoate
CID 50879139
N-(2-chloro-4-nitro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide
CID 50881821
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-(azepan-1-yl)-3-nitrobenzoate
CID 23821711
N-[(2-methoxyphenyl)methyl]-3-nitro-4-piperidin-1-ylbenzamide
CID 4593862
N-(4-methoxy-3-nitrophenyl)-3-nitro-4-piperidin-1-ylbenzamide
CID 3979125
1-(2-bromo-5-methoxy-4-nitrophenyl)pyrrolidine
CID 169490477
5-(aziridin-1-yl)-4-hydroxy-2-nitrobenzohydrazide
CID 150048883
1-(4,5-dimethoxy-2-nitrophenyl)piperidin-3-amine
CID 83007937
2,4-dinitro-5-piperidin-1-ylaniline
CID 17352651
N-ethyl-1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidine-3-carboxamide
CID 133360505

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-nitro-4-piperidin-1-ylbenzohydrazide?
The IUPAC name of 2-methoxy-5-nitro-4-piperidin-1-ylbenzohydrazide (CID 50879598) is 2-methoxy-5-nitro-4-piperidin-1-ylbenzohydrazide.
What is the SMILES notation for 2-methoxy-5-nitro-4-piperidin-1-ylbenzohydrazide?
The canonical SMILES for 2-methoxy-5-nitro-4-piperidin-1-ylbenzohydrazide is COc1cc(N2CCCCC2)c([N+](=O)[O-])cc1C(=O)NN.
What is the InChIKey of 2-methoxy-5-nitro-4-piperidin-1-ylbenzohydrazide?
The InChIKey is JGYIAQOQGZVBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-21-12-8-10(16-5-3-2-4-6-16)11(17(19)20)7-9(12)13(18)15-14/h7-8H,2-6,14H2,1H3,(H,15,18).
What are the key properties of 2-methoxy-5-nitro-4-piperidin-1-ylbenzohydrazide?
2-methoxy-5-nitro-4-piperidin-1-ylbenzohydrazide has a molecular weight of 294.31 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-nitro-4-piperidin-1-ylbenzohydrazide is sourced from PubChem (CID 50879598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).