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

C16H24BrN3O — CID 102774559

IUPAC3-bromo-4-[(4-propylpiperidin-1-yl)methyl]benzohydrazide
SMILESCCCC1CCN(Cc2ccc(C(=O)NN)cc2Br)CC1
InChIInChI=1S/C16H24BrN3O/c1-2-3-12-6-8-20(9-7-12)11-14-5-4-13(10-15(14)17)16(21)19-18/h4-5,10,12H,2-3,6-9,11,18H2,1H3,(H,19,21)
InChIKeyMFTKVUZCMHPAMB-UHFFFAOYSA-N
MW354.29 g/mol
LogP3.06
Rot. Bonds5

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

3-bromo-4-[(4-propylpiperidin-1-yl)methyl]benzohydrazide (PubChem CID 102774559) has the molecular formula C16H24BrN3O and a molecular weight of 354.29 g/mol. Its IUPAC name is 3-bromo-4-[(4-propylpiperidin-1-yl)methyl]benzohydrazide.

Molecular Properties

Compound Name3-bromo-4-[(4-propylpiperidin-1-yl)methyl]benzohydrazide
PubChem CID102774559
Molecular FormulaC16H24BrN3O
Molecular Weight354.29 g/mol
Exact Mass353.11
IUPAC Name3-bromo-4-[(4-propylpiperidin-1-yl)methyl]benzohydrazide
SMILESCCCC1CCN(Cc2ccc(C(=O)NN)cc2Br)CC1
InChIInChI=1S/C16H24BrN3O/c1-2-3-12-6-8-20(9-7-12)11-14-5-4-13(10-15(14)17)16(21)19-18/h4-5,10,12H,2-3,6-9,11,18H2,1H3,(H,19,21)
InChIKeyMFTKVUZCMHPAMB-UHFFFAOYSA-N
XLogP3.06
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-bromo-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzohydrazide
CID 102774701
3-bromo-4-[(3-propylpyrrolidin-1-yl)methyl]benzoic acid
CID 102768108
4-(azocan-1-ylmethyl)-3-bromobenzohydrazide
CID 102774506
4-(azepan-1-ylmethyl)-3-bromobenzohydrazide
CID 102774488
3-bromo-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 102767768
3-bromo-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]benzohydrazide
CID 102774778
3-[(4-propylpiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 63572820
3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458588
3-bromo-4-[[4-(dimethylamino)piperidin-1-yl]methyl]benzoic acid
CID 102767053
3-methyl-4-[(4-propylazepan-1-yl)methyl]benzoic acid
CID 114485554
3-bromo-4-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]benzohydrazide
CID 102774742
3-bromo-4-[[(4-propylcyclohexyl)amino]methyl]benzoic acid
CID 103245649

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(4-propylpiperidin-1-yl)methyl]benzohydrazide?
The IUPAC name of 3-bromo-4-[(4-propylpiperidin-1-yl)methyl]benzohydrazide (CID 102774559) is 3-bromo-4-[(4-propylpiperidin-1-yl)methyl]benzohydrazide.
What is the SMILES notation for 3-bromo-4-[(4-propylpiperidin-1-yl)methyl]benzohydrazide?
The canonical SMILES for 3-bromo-4-[(4-propylpiperidin-1-yl)methyl]benzohydrazide is CCCC1CCN(Cc2ccc(C(=O)NN)cc2Br)CC1.
What is the InChIKey of 3-bromo-4-[(4-propylpiperidin-1-yl)methyl]benzohydrazide?
The InChIKey is MFTKVUZCMHPAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O/c1-2-3-12-6-8-20(9-7-12)11-14-5-4-13(10-15(14)17)16(21)19-18/h4-5,10,12H,2-3,6-9,11,18H2,1H3,(H,19,21).
What are the key properties of 3-bromo-4-[(4-propylpiperidin-1-yl)methyl]benzohydrazide?
3-bromo-4-[(4-propylpiperidin-1-yl)methyl]benzohydrazide has a molecular weight of 354.29 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(4-propylpiperidin-1-yl)methyl]benzohydrazide is sourced from PubChem (CID 102774559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).