1-(2,4-diethoxybenzoyl)piperidine-3-carbohydrazide

C17H25N3O4 — CID 54793952

IUPAC1-(2,4-diethoxybenzoyl)piperidine-3-carbohydrazide
SMILESCCOc1ccc(C(=O)N2CCCC(C(=O)NN)C2)c(OCC)c1
InChIInChI=1S/C17H25N3O4/c1-3-23-13-7-8-14(15(10-13)24-4-2)17(22)20-9-5-6-12(11-20)16(21)19-18/h7-8,10,12H,3-6,9,11,18H2,1-2H3,(H,19,21)
InChIKeyUYNUXPUCVQLUME-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.33
Rot. Bonds6

About 1-(2,4-diethoxybenzoyl)piperidine-3-carbohydrazide

1-(2,4-diethoxybenzoyl)piperidine-3-carbohydrazide (PubChem CID 54793952) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-(2,4-diethoxybenzoyl)piperidine-3-carbohydrazide.

Molecular Properties

Compound Name1-(2,4-diethoxybenzoyl)piperidine-3-carbohydrazide
PubChem CID54793952
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name1-(2,4-diethoxybenzoyl)piperidine-3-carbohydrazide
SMILESCCOc1ccc(C(=O)N2CCCC(C(=O)NN)C2)c(OCC)c1
InChIInChI=1S/C17H25N3O4/c1-3-23-13-7-8-14(15(10-13)24-4-2)17(22)20-9-5-6-12(11-20)16(21)19-18/h7-8,10,12H,3-6,9,11,18H2,1-2H3,(H,19,21)
InChIKeyUYNUXPUCVQLUME-UHFFFAOYSA-N
XLogP1.33
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 1-(2,4-diethoxybenzoyl)piperidine-3-carbohydrazide 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

1-(2,4-diethoxybenzoyl)piperidine-4-carbohydrazide
CID 54794152
1-(3-ethoxybenzoyl)piperidine-3-carbohydrazide
CID 54793893
methyl 1-(2-ethoxybenzoyl)piperidine-3-carboxylate
CID 78919045
1-[4-(3-methylbutoxy)benzoyl]piperidine-3-carbohydrazide
CID 54793981
1-(2-ethoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041537
N-(2-aminoethyl)-1-(3-ethoxybenzoyl)piperidine-3-carboxamide
CID 119481465
ethyl (3R)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxylate
CID 81338523
1-(2-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103195267
1-[2-(difluoromethoxy)benzoyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 46416304
1-[2-(4-bromophenoxy)acetyl]piperidine-3-carbohydrazide
CID 54793928
1-(3-ethoxybenzoyl)piperidine-3-carboxylic acid
CID 54794301
(3S)-3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide
CID 9084642

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diethoxybenzoyl)piperidine-3-carbohydrazide?
The IUPAC name of 1-(2,4-diethoxybenzoyl)piperidine-3-carbohydrazide (CID 54793952) is 1-(2,4-diethoxybenzoyl)piperidine-3-carbohydrazide.
What is the SMILES notation for 1-(2,4-diethoxybenzoyl)piperidine-3-carbohydrazide?
The canonical SMILES for 1-(2,4-diethoxybenzoyl)piperidine-3-carbohydrazide is CCOc1ccc(C(=O)N2CCCC(C(=O)NN)C2)c(OCC)c1.
What is the InChIKey of 1-(2,4-diethoxybenzoyl)piperidine-3-carbohydrazide?
The InChIKey is UYNUXPUCVQLUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-3-23-13-7-8-14(15(10-13)24-4-2)17(22)20-9-5-6-12(11-20)16(21)19-18/h7-8,10,12H,3-6,9,11,18H2,1-2H3,(H,19,21).
What are the key properties of 1-(2,4-diethoxybenzoyl)piperidine-3-carbohydrazide?
1-(2,4-diethoxybenzoyl)piperidine-3-carbohydrazide has a molecular weight of 335.40 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diethoxybenzoyl)piperidine-3-carbohydrazide is sourced from PubChem (CID 54793952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).