1-benzyl-N'-(3-chlorobenzoyl)piperidine-4-carbohydrazide

C20H22ClN3O2 — CID 3465910

IUPAC1-benzyl-N'-(3-chlorobenzoyl)piperidine-4-carbohydrazide
SMILESO=C(NNC(=O)C1CCN(Cc2ccccc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C20H22ClN3O2/c21-18-8-4-7-17(13-18)20(26)23-22-19(25)16-9-11-24(12-10-16)14-15-5-2-1-3-6-15/h1-8,13,16H,9-12,14H2,(H,22,25)(H,23,26)
InChIKeySTOYKLZQTWFPJJ-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.01
Rot. Bonds4

About 1-benzyl-N'-(3-chlorobenzoyl)piperidine-4-carbohydrazide

1-benzyl-N'-(3-chlorobenzoyl)piperidine-4-carbohydrazide (PubChem CID 3465910) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 1-benzyl-N'-(3-chlorobenzoyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-benzyl-N'-(3-chlorobenzoyl)piperidine-4-carbohydrazide
PubChem CID3465910
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name1-benzyl-N'-(3-chlorobenzoyl)piperidine-4-carbohydrazide
SMILESO=C(NNC(=O)C1CCN(Cc2ccccc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C20H22ClN3O2/c21-18-8-4-7-17(13-18)20(26)23-22-19(25)16-9-11-24(12-10-16)14-15-5-2-1-3-6-15/h1-8,13,16H,9-12,14H2,(H,22,25)(H,23,26)
InChIKeySTOYKLZQTWFPJJ-UHFFFAOYSA-N
XLogP3.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-benzyl-N'-(3-chlorobenzoyl)piperidine-4-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N'-(3-chlorobenzoyl)piperidine-4-carbohydrazide?
The IUPAC name of 1-benzyl-N'-(3-chlorobenzoyl)piperidine-4-carbohydrazide (CID 3465910) is 1-benzyl-N'-(3-chlorobenzoyl)piperidine-4-carbohydrazide.
What is the SMILES notation for 1-benzyl-N'-(3-chlorobenzoyl)piperidine-4-carbohydrazide?
The canonical SMILES for 1-benzyl-N'-(3-chlorobenzoyl)piperidine-4-carbohydrazide is O=C(NNC(=O)C1CCN(Cc2ccccc2)CC1)c1cccc(Cl)c1.
What is the InChIKey of 1-benzyl-N'-(3-chlorobenzoyl)piperidine-4-carbohydrazide?
The InChIKey is STOYKLZQTWFPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c21-18-8-4-7-17(13-18)20(26)23-22-19(25)16-9-11-24(12-10-16)14-15-5-2-1-3-6-15/h1-8,13,16H,9-12,14H2,(H,22,25)(H,23,26).
What are the key properties of 1-benzyl-N'-(3-chlorobenzoyl)piperidine-4-carbohydrazide?
1-benzyl-N'-(3-chlorobenzoyl)piperidine-4-carbohydrazide has a molecular weight of 371.87 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N'-(3-chlorobenzoyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 3465910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).