4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]benzohydrazide

C16H24N4O — CID 79164962

IUPAC4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]benzohydrazide
SMILESCN1C2CCC1CN(Cc1ccc(C(=O)NN)cc1)CC2
InChIInChI=1S/C16H24N4O/c1-19-14-6-7-15(19)11-20(9-8-14)10-12-2-4-13(5-3-12)16(21)18-17/h2-5,14-15H,6-11,17H2,1H3,(H,18,21)
InChIKeySUMLUNKNLQPWSN-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.96
Rot. Bonds3

About 4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]benzohydrazide

4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]benzohydrazide (PubChem CID 79164962) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]benzohydrazide.

Molecular Properties

Compound Name4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]benzohydrazide
PubChem CID79164962
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]benzohydrazide
SMILESCN1C2CCC1CN(Cc1ccc(C(=O)NN)cc1)CC2
InChIInChI=1S/C16H24N4O/c1-19-14-6-7-15(19)11-20(9-8-14)10-12-2-4-13(5-3-12)16(21)18-17/h2-5,14-15H,6-11,17H2,1H3,(H,18,21)
InChIKeySUMLUNKNLQPWSN-UHFFFAOYSA-N
XLogP0.96
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]benzohydrazide
CID 143419597
4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]benzenecarboximidamide
CID 79175339
2-[4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]propan-1-amine
CID 105347939
1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]triazole-4-carbohydrazide
CID 79164963
1-(4-chlorophenyl)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 79164094
3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]benzenecarbothioamide
CID 79174621
4-[(4-methyl-3-oxopiperazin-1-yl)methyl]benzohydrazide
CID 64693334
2-fluoro-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]benzenecarbothioamide
CID 107879438
4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzohydrazide
CID 63572108
4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43885844
[3-fluoro-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]methanamine
CID 79175481
N-(3-methylbutan-2-yl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 133249994

Frequently Asked Questions

What is the IUPAC name of 4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]benzohydrazide?
The IUPAC name of 4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]benzohydrazide (CID 79164962) is 4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]benzohydrazide.
What is the SMILES notation for 4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]benzohydrazide?
The canonical SMILES for 4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]benzohydrazide is CN1C2CCC1CN(Cc1ccc(C(=O)NN)cc1)CC2.
What is the InChIKey of 4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]benzohydrazide?
The InChIKey is SUMLUNKNLQPWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-19-14-6-7-15(19)11-20(9-8-14)10-12-2-4-13(5-3-12)16(21)18-17/h2-5,14-15H,6-11,17H2,1H3,(H,18,21).
What are the key properties of 4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]benzohydrazide?
4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]benzohydrazide has a molecular weight of 288.39 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]benzohydrazide is sourced from PubChem (CID 79164962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).