3-chloro-5-nitro-4-piperidin-1-ylbenzohydrazide

C12H15ClN4O3 — CID 91674503

IUPAC3-chloro-5-nitro-4-piperidin-1-ylbenzohydrazide
SMILESNNC(=O)c1cc(Cl)c(N2CCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H15ClN4O3/c13-9-6-8(12(18)15-14)7-10(17(19)20)11(9)16-4-2-1-3-5-16/h6-7H,1-5,14H2,(H,15,18)
InChIKeyLTYSHLGEUQJFDB-UHFFFAOYSA-N
MW298.73 g/mol
LogP1.84
Rot. Bonds3

About 3-chloro-5-nitro-4-piperidin-1-ylbenzohydrazide

3-chloro-5-nitro-4-piperidin-1-ylbenzohydrazide (PubChem CID 91674503) has the molecular formula C12H15ClN4O3 and a molecular weight of 298.73 g/mol. Its IUPAC name is 3-chloro-5-nitro-4-piperidin-1-ylbenzohydrazide.

Molecular Properties

Compound Name3-chloro-5-nitro-4-piperidin-1-ylbenzohydrazide
PubChem CID91674503
Molecular FormulaC12H15ClN4O3
Molecular Weight298.73 g/mol
Exact Mass298.08
IUPAC Name3-chloro-5-nitro-4-piperidin-1-ylbenzohydrazide
SMILESNNC(=O)c1cc(Cl)c(N2CCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H15ClN4O3/c13-9-6-8(12(18)15-14)7-10(17(19)20)11(9)16-4-2-1-3-5-16/h6-7H,1-5,14H2,(H,15,18)
InChIKeyLTYSHLGEUQJFDB-UHFFFAOYSA-N
XLogP1.84
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze 3-chloro-5-nitro-4-piperidin-1-ylbenzohydrazide 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

3-chloro-4-[(2R)-2-methylpiperidin-1-yl]-5-nitrobenzohydrazide
CID 100803025
4-morpholin-4-yl-3,5-dinitrobenzohydrazide
CID 132593751
3,5-dinitro-4-pyrrolidin-1-ylbenzoic acid
CID 12005642
3-chloro-4-(4-ethylpiperazin-1-yl)-5-nitrobenzamide
CID 56773092
4-(2,6-dimethylpiperidin-1-yl)-3,5-dinitrobenzohydrazide
CID 132593791
4-chloro-3-nitrobenzohydrazide
CID 3704353
ethyl 3-chloro-4-(4-ethylpiperazin-1-yl)-5-nitrobenzoate
CID 56773097
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-3-nitro-4-piperidin-1-ylbenzamide
CID 5126115
(3-chloro-4-hydrazinyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone
CID 62237135
2-(azepan-1-yl)-3-chloro-5-nitrobenzoic acid
CID 107189758
[4-(2-chloro-6-nitrophenyl)piperazin-1-yl]-(3-nitro-4-piperidin-1-ylphenyl)methanone
CID 4000572
4-(cyclopentylamino)-3,5-dinitrobenzohydrazide
CID 132593891

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-nitro-4-piperidin-1-ylbenzohydrazide?
The IUPAC name of 3-chloro-5-nitro-4-piperidin-1-ylbenzohydrazide (CID 91674503) is 3-chloro-5-nitro-4-piperidin-1-ylbenzohydrazide.
What is the SMILES notation for 3-chloro-5-nitro-4-piperidin-1-ylbenzohydrazide?
The canonical SMILES for 3-chloro-5-nitro-4-piperidin-1-ylbenzohydrazide is NNC(=O)c1cc(Cl)c(N2CCCCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 3-chloro-5-nitro-4-piperidin-1-ylbenzohydrazide?
The InChIKey is LTYSHLGEUQJFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O3/c13-9-6-8(12(18)15-14)7-10(17(19)20)11(9)16-4-2-1-3-5-16/h6-7H,1-5,14H2,(H,15,18).
What are the key properties of 3-chloro-5-nitro-4-piperidin-1-ylbenzohydrazide?
3-chloro-5-nitro-4-piperidin-1-ylbenzohydrazide has a molecular weight of 298.73 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-nitro-4-piperidin-1-ylbenzohydrazide is sourced from PubChem (CID 91674503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).