N'-[2-(4-chlorophenyl)acetyl]-1-(3-phenylpropanoyl)piperidine-4-carbohydrazide

C23H26ClN3O3 — CID 46411290

IUPACN'-[2-(4-chlorophenyl)acetyl]-1-(3-phenylpropanoyl)piperidine-4-carbohydrazide
SMILESO=C(Cc1ccc(Cl)cc1)NNC(=O)C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C23H26ClN3O3/c24-20-9-6-18(7-10-20)16-21(28)25-26-23(30)19-12-14-27(15-13-19)22(29)11-8-17-4-2-1-3-5-17/h1-7,9-10,19H,8,11-16H2,(H,25,28)(H,26,30)
InChIKeyVTHLGWHQVCXGDK-UHFFFAOYSA-N
MW427.93 g/mol
LogP2.90
Rot. Bonds6

About N'-[2-(4-chlorophenyl)acetyl]-1-(3-phenylpropanoyl)piperidine-4-carbohydrazide

N'-[2-(4-chlorophenyl)acetyl]-1-(3-phenylpropanoyl)piperidine-4-carbohydrazide (PubChem CID 46411290) has the molecular formula C23H26ClN3O3 and a molecular weight of 427.93 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)acetyl]-1-(3-phenylpropanoyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)acetyl]-1-(3-phenylpropanoyl)piperidine-4-carbohydrazide
PubChem CID46411290
Molecular FormulaC23H26ClN3O3
Molecular Weight427.93 g/mol
Exact Mass427.17
IUPAC NameN'-[2-(4-chlorophenyl)acetyl]-1-(3-phenylpropanoyl)piperidine-4-carbohydrazide
SMILESO=C(Cc1ccc(Cl)cc1)NNC(=O)C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C23H26ClN3O3/c24-20-9-6-18(7-10-20)16-21(28)25-26-23(30)19-12-14-27(15-13-19)22(29)11-8-17-4-2-1-3-5-17/h1-7,9-10,19H,8,11-16H2,(H,25,28)(H,26,30)
InChIKeyVTHLGWHQVCXGDK-UHFFFAOYSA-N
XLogP2.90
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[2-(4-chlorophenyl)acetyl]-1-(3-phenylpropanoyl)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

Related Compounds

1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
CID 45341294
N'-[2-(4-chlorophenyl)acetyl]cyclopropanecarbohydrazide
CID 4938227
1-(3-phenylpropanoyl)piperidine-4-carbohydrazide
CID 54794050
N'-[2-(4-chlorophenyl)acetyl]cyclopentanecarbohydrazide
CID 26657650
ethyl N-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]carbamate
CID 46411072
benzyl N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]carbamate
CID 108566597
(3S)-1-[3-(4-chlorophenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 124700361
3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119177469
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]cyclohexanecarboxamide
CID 108549997
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536940
1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 6930824

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-1-(3-phenylpropanoyl)piperidine-4-carbohydrazide?
The IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-1-(3-phenylpropanoyl)piperidine-4-carbohydrazide (CID 46411290) is N'-[2-(4-chlorophenyl)acetyl]-1-(3-phenylpropanoyl)piperidine-4-carbohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)acetyl]-1-(3-phenylpropanoyl)piperidine-4-carbohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenyl)acetyl]-1-(3-phenylpropanoyl)piperidine-4-carbohydrazide is O=C(Cc1ccc(Cl)cc1)NNC(=O)C1CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of N'-[2-(4-chlorophenyl)acetyl]-1-(3-phenylpropanoyl)piperidine-4-carbohydrazide?
The InChIKey is VTHLGWHQVCXGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O3/c24-20-9-6-18(7-10-20)16-21(28)25-26-23(30)19-12-14-27(15-13-19)22(29)11-8-17-4-2-1-3-5-17/h1-7,9-10,19H,8,11-16H2,(H,25,28)(H,26,30).
What are the key properties of N'-[2-(4-chlorophenyl)acetyl]-1-(3-phenylpropanoyl)piperidine-4-carbohydrazide?
N'-[2-(4-chlorophenyl)acetyl]-1-(3-phenylpropanoyl)piperidine-4-carbohydrazide has a molecular weight of 427.93 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)acetyl]-1-(3-phenylpropanoyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 46411290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).