3-bromo-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzohydrazide

C15H22BrN3O2 — CID 102774701

IUPAC3-bromo-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzohydrazide
SMILESCOCC1CCN(Cc2ccc(C(=O)NN)cc2Br)CC1
InChIInChI=1S/C15H22BrN3O2/c1-21-10-11-4-6-19(7-5-11)9-13-3-2-12(8-14(13)16)15(20)18-17/h2-3,8,11H,4-7,9-10,17H2,1H3,(H,18,20)
InChIKeyAMOCOAMZNFVJBW-UHFFFAOYSA-N
MW356.26 g/mol
LogP1.91
Rot. Bonds5

About 3-bromo-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzohydrazide

3-bromo-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzohydrazide (PubChem CID 102774701) has the molecular formula C15H22BrN3O2 and a molecular weight of 356.26 g/mol. Its IUPAC name is 3-bromo-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzohydrazide.

Molecular Properties

Compound Name3-bromo-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzohydrazide
PubChem CID102774701
Molecular FormulaC15H22BrN3O2
Molecular Weight356.26 g/mol
Exact Mass355.09
IUPAC Name3-bromo-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzohydrazide
SMILESCOCC1CCN(Cc2ccc(C(=O)NN)cc2Br)CC1
InChIInChI=1S/C15H22BrN3O2/c1-21-10-11-4-6-19(7-5-11)9-13-3-2-12(8-14(13)16)15(20)18-17/h2-3,8,11H,4-7,9-10,17H2,1H3,(H,18,20)
InChIKeyAMOCOAMZNFVJBW-UHFFFAOYSA-N
XLogP1.91
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 51.91
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'}

Analyze 3-bromo-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzohydrazide 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-bromo-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 102767768
3-bromo-4-[(4-propylpiperidin-1-yl)methyl]benzohydrazide
CID 102774559
4-(azocan-1-ylmethyl)-3-bromobenzohydrazide
CID 102774506
4-(azepan-1-ylmethyl)-3-bromobenzohydrazide
CID 102774488
3-bromo-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]benzohydrazide
CID 102774778
4-methoxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 63971622
3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458588
3-bromo-4-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]benzohydrazide
CID 102774742
methyl 3-bromo-4-[(4,4-dimethylpiperidin-1-yl)methyl]benzoate
CID 102767604
3-bromo-4-[[4-(dimethylamino)piperidin-1-yl]methyl]benzoic acid
CID 102767053
3-bromo-4-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]benzohydrazide
CID 102774826
3-bromo-4-[(3-propylpyrrolidin-1-yl)methyl]benzoic acid
CID 102768108

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzohydrazide?
The IUPAC name of 3-bromo-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzohydrazide (CID 102774701) is 3-bromo-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzohydrazide.
What is the SMILES notation for 3-bromo-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzohydrazide?
The canonical SMILES for 3-bromo-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzohydrazide is COCC1CCN(Cc2ccc(C(=O)NN)cc2Br)CC1.
What is the InChIKey of 3-bromo-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzohydrazide?
The InChIKey is AMOCOAMZNFVJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2/c1-21-10-11-4-6-19(7-5-11)9-13-3-2-12(8-14(13)16)15(20)18-17/h2-3,8,11H,4-7,9-10,17H2,1H3,(H,18,20).
What are the key properties of 3-bromo-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzohydrazide?
3-bromo-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzohydrazide has a molecular weight of 356.26 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzohydrazide is sourced from PubChem (CID 102774701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).