4-(2,6-dimethylpiperidin-1-yl)-3,5-dinitrobenzohydrazide

C14H19N5O5 — CID 132593791

IUPAC4-(2,6-dimethylpiperidin-1-yl)-3,5-dinitrobenzohydrazide
SMILESCC1CCCC(C)N1c1c([N+](=O)[O-])cc(C(=O)NN)cc1[N+](=O)[O-]
InChIInChI=1S/C14H19N5O5/c1-8-4-3-5-9(2)17(8)13-11(18(21)22)6-10(14(20)16-15)7-12(13)19(23)24/h6-9H,3-5,15H2,1-2H3,(H,16,20)
InChIKeyQWAAQTXDSHIVNV-UHFFFAOYSA-N
MW337.34 g/mol
LogP1.87
Rot. Bonds4

About 4-(2,6-dimethylpiperidin-1-yl)-3,5-dinitrobenzohydrazide

4-(2,6-dimethylpiperidin-1-yl)-3,5-dinitrobenzohydrazide (PubChem CID 132593791) has the molecular formula C14H19N5O5 and a molecular weight of 337.34 g/mol. Its IUPAC name is 4-(2,6-dimethylpiperidin-1-yl)-3,5-dinitrobenzohydrazide.

Molecular Properties

Compound Name4-(2,6-dimethylpiperidin-1-yl)-3,5-dinitrobenzohydrazide
PubChem CID132593791
Molecular FormulaC14H19N5O5
Molecular Weight337.34 g/mol
Exact Mass337.14
IUPAC Name4-(2,6-dimethylpiperidin-1-yl)-3,5-dinitrobenzohydrazide
SMILESCC1CCCC(C)N1c1c([N+](=O)[O-])cc(C(=O)NN)cc1[N+](=O)[O-]
InChIInChI=1S/C14H19N5O5/c1-8-4-3-5-9(2)17(8)13-11(18(21)22)6-10(14(20)16-15)7-12(13)19(23)24/h6-9H,3-5,15H2,1-2H3,(H,16,20)
InChIKeyQWAAQTXDSHIVNV-UHFFFAOYSA-N
XLogP1.87
TPSA144.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

3-chloro-4-[(2R)-2-methylpiperidin-1-yl]-5-nitrobenzohydrazide
CID 100803025
4-(cyclopentylamino)-3,5-dinitrobenzohydrazide
CID 132593891
4-morpholin-4-yl-3,5-dinitrobenzohydrazide
CID 132593751
3-chloro-5-nitro-4-piperidin-1-ylbenzohydrazide
CID 91674503
4-methoxy-3,5-dinitrobenzohydrazide
CID 4298975
6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-5-nitropyridine-3-carboxylic acid
CID 104967597
N-hydroxy-4-[(2-methylcyclohexyl)amino]-3,5-dinitrobenzamide
CID 132593728
(4-chloro-3-nitrophenyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 6941661
4-(3,5-dimethylanilino)-3,5-dinitrobenzohydrazide
CID 132593851
4-chloro-3-nitrobenzohydrazide
CID 3704353
[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 4-bromo-3-nitrobenzoate
CID 7363353
[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-nitrophenyl]hydrazine
CID 104968907

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylpiperidin-1-yl)-3,5-dinitrobenzohydrazide?
The IUPAC name of 4-(2,6-dimethylpiperidin-1-yl)-3,5-dinitrobenzohydrazide (CID 132593791) is 4-(2,6-dimethylpiperidin-1-yl)-3,5-dinitrobenzohydrazide.
What is the SMILES notation for 4-(2,6-dimethylpiperidin-1-yl)-3,5-dinitrobenzohydrazide?
The canonical SMILES for 4-(2,6-dimethylpiperidin-1-yl)-3,5-dinitrobenzohydrazide is CC1CCCC(C)N1c1c([N+](=O)[O-])cc(C(=O)NN)cc1[N+](=O)[O-].
What is the InChIKey of 4-(2,6-dimethylpiperidin-1-yl)-3,5-dinitrobenzohydrazide?
The InChIKey is QWAAQTXDSHIVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O5/c1-8-4-3-5-9(2)17(8)13-11(18(21)22)6-10(14(20)16-15)7-12(13)19(23)24/h6-9H,3-5,15H2,1-2H3,(H,16,20).
What are the key properties of 4-(2,6-dimethylpiperidin-1-yl)-3,5-dinitrobenzohydrazide?
4-(2,6-dimethylpiperidin-1-yl)-3,5-dinitrobenzohydrazide has a molecular weight of 337.34 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylpiperidin-1-yl)-3,5-dinitrobenzohydrazide is sourced from PubChem (CID 132593791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).