1-[3-bromo-4-(2-methylpropoxy)benzoyl]piperidine-4-carbohydrazide

C17H24BrN3O3 — CID 54794181

IUPAC1-[3-bromo-4-(2-methylpropoxy)benzoyl]piperidine-4-carbohydrazide
SMILESCC(C)COc1ccc(C(=O)N2CCC(C(=O)NN)CC2)cc1Br
InChIInChI=1S/C17H24BrN3O3/c1-11(2)10-24-15-4-3-13(9-14(15)18)17(23)21-7-5-12(6-8-21)16(22)20-19/h3-4,9,11-12H,5-8,10,19H2,1-2H3,(H,20,22)
InChIKeyDAQPKVOCFJYQBW-UHFFFAOYSA-N
MW398.30 g/mol
LogP2.33
Rot. Bonds5

About 1-[3-bromo-4-(2-methylpropoxy)benzoyl]piperidine-4-carbohydrazide

1-[3-bromo-4-(2-methylpropoxy)benzoyl]piperidine-4-carbohydrazide (PubChem CID 54794181) has the molecular formula C17H24BrN3O3 and a molecular weight of 398.30 g/mol. Its IUPAC name is 1-[3-bromo-4-(2-methylpropoxy)benzoyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[3-bromo-4-(2-methylpropoxy)benzoyl]piperidine-4-carbohydrazide
PubChem CID54794181
Molecular FormulaC17H24BrN3O3
Molecular Weight398.30 g/mol
Exact Mass397.10
IUPAC Name1-[3-bromo-4-(2-methylpropoxy)benzoyl]piperidine-4-carbohydrazide
SMILESCC(C)COc1ccc(C(=O)N2CCC(C(=O)NN)CC2)cc1Br
InChIInChI=1S/C17H24BrN3O3/c1-11(2)10-24-15-4-3-13(9-14(15)18)17(23)21-7-5-12(6-8-21)16(22)20-19/h3-4,9,11-12H,5-8,10,19H2,1-2H3,(H,20,22)
InChIKeyDAQPKVOCFJYQBW-UHFFFAOYSA-N
XLogP2.33
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.30
LogP ≤ 52.33
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

azepan-1-yl-[3-bromo-4-(2-methylpropoxy)phenyl]methanone
CID 17351613
1-[3-bromo-4-(3-methylbutoxy)benzoyl]piperidine-4-carboxylic acid
CID 54793738
ethyl 1-[[3-bromo-4-(2-methylpropoxy)benzoyl]carbamothioyl]piperidine-4-carboxylate
CID 17231078
ethyl 1-[3-bromo-4-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylate
CID 17230864
azepan-1-yl-[3-bromo-4-(3-methylbutoxy)phenyl]methanone
CID 54793485
3-bromo-4-(2-methylpropoxy)-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205552
azocan-1-yl-[3-methoxy-4-(2-methylpropoxy)phenyl]methanone
CID 112793157
3-bromo-4-(2-methylpropoxy)-N-(piperidine-1-carbothioyl)benzamide
CID 17352220
3-bromo-N-methyl-4-(2-methylpropoxy)benzamide
CID 17351710
(3-bromo-4-prop-2-enoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 17067207
1-(3,4-diethoxybenzoyl)-N-methylpiperidine-4-carboxamide
CID 46576371
[4-[3-bromo-4-(2-methoxyethoxy)benzoyl]piperazin-1-yl]-[3-bromo-4-(2-methoxyethoxy)phenyl]methanone
CID 17357131

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(2-methylpropoxy)benzoyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-[3-bromo-4-(2-methylpropoxy)benzoyl]piperidine-4-carbohydrazide (CID 54794181) is 1-[3-bromo-4-(2-methylpropoxy)benzoyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[3-bromo-4-(2-methylpropoxy)benzoyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-[3-bromo-4-(2-methylpropoxy)benzoyl]piperidine-4-carbohydrazide is CC(C)COc1ccc(C(=O)N2CCC(C(=O)NN)CC2)cc1Br.
What is the InChIKey of 1-[3-bromo-4-(2-methylpropoxy)benzoyl]piperidine-4-carbohydrazide?
The InChIKey is DAQPKVOCFJYQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O3/c1-11(2)10-24-15-4-3-13(9-14(15)18)17(23)21-7-5-12(6-8-21)16(22)20-19/h3-4,9,11-12H,5-8,10,19H2,1-2H3,(H,20,22).
What are the key properties of 1-[3-bromo-4-(2-methylpropoxy)benzoyl]piperidine-4-carbohydrazide?
1-[3-bromo-4-(2-methylpropoxy)benzoyl]piperidine-4-carbohydrazide has a molecular weight of 398.30 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(2-methylpropoxy)benzoyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 54794181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).