1-(2-chlorobenzoyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]piperidine-4-carboxamide

C20H18Cl3N3O2 — CID 126014244

IUPAC1-(2-chlorobenzoyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]piperidine-4-carboxamide
SMILESO=C(N/N=C\c1ccc(Cl)cc1Cl)C1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C20H18Cl3N3O2/c21-15-6-5-14(18(23)11-15)12-24-25-19(27)13-7-9-26(10-8-13)20(28)16-3-1-2-4-17(16)22/h1-6,11-13H,7-10H2,(H,25,27)/b24-12-
InChIKeyYQYHGPXVWDTSFP-MSXFZWOLSA-N
MW438.74 g/mol
LogP4.65
Rot. Bonds4

About 1-(2-chlorobenzoyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]piperidine-4-carboxamide

1-(2-chlorobenzoyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]piperidine-4-carboxamide (PubChem CID 126014244) has the molecular formula C20H18Cl3N3O2 and a molecular weight of 438.74 g/mol. Its IUPAC name is 1-(2-chlorobenzoyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorobenzoyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]piperidine-4-carboxamide
PubChem CID126014244
Molecular FormulaC20H18Cl3N3O2
Molecular Weight438.74 g/mol
Exact Mass437.05
IUPAC Name1-(2-chlorobenzoyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]piperidine-4-carboxamide
SMILESO=C(N/N=C\c1ccc(Cl)cc1Cl)C1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C20H18Cl3N3O2/c21-15-6-5-14(18(23)11-15)12-24-25-19(27)13-7-9-26(10-8-13)20(28)16-3-1-2-4-17(16)22/h1-6,11-13H,7-10H2,(H,25,27)/b24-12-
InChIKeyYQYHGPXVWDTSFP-MSXFZWOLSA-N
XLogP4.65
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.74
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(2-chlorobenzoyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]piperidine-4-carboxamide 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-dichlorobenzoyl)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]piperidine-4-carboxamide
CID 126010821
1-(2-chlorobenzoyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]piperidine-4-carboxamide
CID 126013246
1-(2,4-dichlorobenzoyl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126014066
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1-(3,4-dimethoxybenzoyl)piperidine-4-carboxamide
CID 126013520
1-(2,4-dichlorobenzoyl)-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126013779
N-[(Z)-(3-bromophenyl)methylideneamino]-1-(2-chlorobenzoyl)piperidine-4-carboxamide
CID 126012715
1-(2-chlorobenzoyl)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 137022805
1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126010670
1-(2,4-dichlorobenzoyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]piperidine-4-carboxamide
CID 126011037
1-(2,4-dichlorobenzoyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]piperidine-4-carboxamide
CID 126011423
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
1-[(4-bromophenyl)methyl]-N-[(2,4-dichlorophenyl)methylideneamino]piperidine-4-carboxamide
CID 3647128

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorobenzoyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]piperidine-4-carboxamide?
The IUPAC name of 1-(2-chlorobenzoyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]piperidine-4-carboxamide (CID 126014244) is 1-(2-chlorobenzoyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-chlorobenzoyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-chlorobenzoyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]piperidine-4-carboxamide is O=C(N/N=C\c1ccc(Cl)cc1Cl)C1CCN(C(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 1-(2-chlorobenzoyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]piperidine-4-carboxamide?
The InChIKey is YQYHGPXVWDTSFP-MSXFZWOLSA-N. The full InChI is InChI=1S/C20H18Cl3N3O2/c21-15-6-5-14(18(23)11-15)12-24-25-19(27)13-7-9-26(10-8-13)20(28)16-3-1-2-4-17(16)22/h1-6,11-13H,7-10H2,(H,25,27)/b24-12-.
What are the key properties of 1-(2-chlorobenzoyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]piperidine-4-carboxamide?
1-(2-chlorobenzoyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]piperidine-4-carboxamide has a molecular weight of 438.74 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorobenzoyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]piperidine-4-carboxamide is sourced from PubChem (CID 126014244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).