1-[4-(3-methylbutoxy)benzoyl]piperidine-3-carbohydrazide

C18H27N3O3 — CID 54793981

IUPAC1-[4-(3-methylbutoxy)benzoyl]piperidine-3-carbohydrazide
SMILESCC(C)CCOc1ccc(C(=O)N2CCCC(C(=O)NN)C2)cc1
InChIInChI=1S/C18H27N3O3/c1-13(2)9-11-24-16-7-5-14(6-8-16)18(23)21-10-3-4-15(12-21)17(22)20-19/h5-8,13,15H,3-4,9-12,19H2,1-2H3,(H,20,22)
InChIKeyZYGGRWPSDZMVNQ-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.95
Rot. Bonds6

About 1-[4-(3-methylbutoxy)benzoyl]piperidine-3-carbohydrazide

1-[4-(3-methylbutoxy)benzoyl]piperidine-3-carbohydrazide (PubChem CID 54793981) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-[4-(3-methylbutoxy)benzoyl]piperidine-3-carbohydrazide.

Molecular Properties

Compound Name1-[4-(3-methylbutoxy)benzoyl]piperidine-3-carbohydrazide
PubChem CID54793981
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name1-[4-(3-methylbutoxy)benzoyl]piperidine-3-carbohydrazide
SMILESCC(C)CCOc1ccc(C(=O)N2CCCC(C(=O)NN)C2)cc1
InChIInChI=1S/C18H27N3O3/c1-13(2)9-11-24-16-7-5-14(6-8-16)18(23)21-10-3-4-15(12-21)17(22)20-19/h5-8,13,15H,3-4,9-12,19H2,1-2H3,(H,20,22)
InChIKeyZYGGRWPSDZMVNQ-UHFFFAOYSA-N
XLogP1.95
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.95
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-[1-[4-(3-methylbutoxy)benzoyl]piperidin-4-yl]methanone
CID 134029878
[3-(methylaminomethyl)pyrrolidin-1-yl]-[4-(3-methylbutoxy)phenyl]methanone
CID 119540673
1-(4-fluorobenzoyl)piperidine-3-carbohydrazide
CID 54793956
1-(3-ethoxybenzoyl)piperidine-3-carbohydrazide
CID 54793893
N-(azepane-1-carbothioyl)-4-(3-methylbutoxy)benzamide
CID 4949027
N-[4-(3-methylbutoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841563
1-(4-fluorobenzoyl)-N-[4-(4-fluorophenoxy)butyl]piperidine-3-carboxamide
CID 55461620
1-[4-(2-phenoxyethoxy)benzoyl]piperidine-4-carbohydrazide
CID 54794066
1-(4-methylbenzoyl)-N-(2-phenoxyethyl)piperidine-3-carboxamide
CID 46481032
1-(4-heptoxybenzoyl)piperidine-4-carbohydrazide
CID 54794046
methyl (2R)-1-[4-(3-methylbutoxy)benzoyl]pyrrolidine-2-carboxylate
CID 908918
methyl 1-[4-(2-amino-2-oxoethoxy)benzoyl]piperidine-3-carboxylate
CID 119109496

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylbutoxy)benzoyl]piperidine-3-carbohydrazide?
The IUPAC name of 1-[4-(3-methylbutoxy)benzoyl]piperidine-3-carbohydrazide (CID 54793981) is 1-[4-(3-methylbutoxy)benzoyl]piperidine-3-carbohydrazide.
What is the SMILES notation for 1-[4-(3-methylbutoxy)benzoyl]piperidine-3-carbohydrazide?
The canonical SMILES for 1-[4-(3-methylbutoxy)benzoyl]piperidine-3-carbohydrazide is CC(C)CCOc1ccc(C(=O)N2CCCC(C(=O)NN)C2)cc1.
What is the InChIKey of 1-[4-(3-methylbutoxy)benzoyl]piperidine-3-carbohydrazide?
The InChIKey is ZYGGRWPSDZMVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-13(2)9-11-24-16-7-5-14(6-8-16)18(23)21-10-3-4-15(12-21)17(22)20-19/h5-8,13,15H,3-4,9-12,19H2,1-2H3,(H,20,22).
What are the key properties of 1-[4-(3-methylbutoxy)benzoyl]piperidine-3-carbohydrazide?
1-[4-(3-methylbutoxy)benzoyl]piperidine-3-carbohydrazide has a molecular weight of 333.43 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylbutoxy)benzoyl]piperidine-3-carbohydrazide is sourced from PubChem (CID 54793981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).