1-[(2-chlorophenyl)methyl]-N-(1-naphthalen-2-ylethylideneamino)piperidine-4-carboxamide

C25H26ClN3O — CID 5179015

IUPAC1-[(2-chlorophenyl)methyl]-N-(1-naphthalen-2-ylethylideneamino)piperidine-4-carboxamide
SMILESCC(=NNC(=O)C1CCN(Cc2ccccc2Cl)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C25H26ClN3O/c1-18(21-11-10-19-6-2-3-7-22(19)16-21)27-28-25(30)20-12-14-29(15-13-20)17-23-8-4-5-9-24(23)26/h2-11,16,20H,12-15,17H2,1H3,(H,28,30)
InChIKeyGOGXRRQYQIJNMM-UHFFFAOYSA-N
MW419.96 g/mol
LogP5.25
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-N-(1-naphthalen-2-ylethylideneamino)piperidine-4-carboxamide

1-[(2-chlorophenyl)methyl]-N-(1-naphthalen-2-ylethylideneamino)piperidine-4-carboxamide (PubChem CID 5179015) has the molecular formula C25H26ClN3O and a molecular weight of 419.96 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-(1-naphthalen-2-ylethylideneamino)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-(1-naphthalen-2-ylethylideneamino)piperidine-4-carboxamide
PubChem CID5179015
Molecular FormulaC25H26ClN3O
Molecular Weight419.96 g/mol
Exact Mass419.18
IUPAC Name1-[(2-chlorophenyl)methyl]-N-(1-naphthalen-2-ylethylideneamino)piperidine-4-carboxamide
SMILESCC(=NNC(=O)C1CCN(Cc2ccccc2Cl)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C25H26ClN3O/c1-18(21-11-10-19-6-2-3-7-22(19)16-21)27-28-25(30)20-12-14-29(15-13-20)17-23-8-4-5-9-24(23)26/h2-11,16,20H,12-15,17H2,1H3,(H,28,30)
InChIKeyGOGXRRQYQIJNMM-UHFFFAOYSA-N
XLogP5.25
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.96
LogP ≤ 55.25
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-chlorophenyl)methyl]-N-(1-naphthalen-2-ylethylideneamino)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-chloro-4-fluorophenyl)methyl]-N-(1-naphthalen-2-ylethylideneamino)piperidine-4-carboxamide
CID 5183601
1-[(2-chlorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
CID 45016892
N-(1-naphthalen-2-ylethylideneamino)cyclohexanecarboxamide
CID 832851
1-[(2-chloro-4-fluorophenyl)methyl]-N-[1-(4-hydroxyphenyl)ethylideneamino]piperidine-4-carboxamide
CID 5183602
1-[(2-fluorophenyl)methyl]-N-(1-pyridin-4-ylethylideneamino)piperidine-4-carboxamide
CID 5192241
1-[(2-fluorophenyl)methyl]-N-[1-(4-nitrophenyl)ethylideneamino]piperidine-4-carboxamide
CID 5195766
1-[(2-chloro-4-fluorophenyl)methyl]-N-[(Z)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]piperidine-4-carboxamide
CID 21173316
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 3508048
1-[(2,4-dichlorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
CID 43919622
1-[(2-chlorophenyl)methyl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 45009186
(1R,6S)-N-[(Z)-1-naphthalen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 5409657
1-[(2-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 25246790

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(1-naphthalen-2-ylethylideneamino)piperidine-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(1-naphthalen-2-ylethylideneamino)piperidine-4-carboxamide (CID 5179015) is 1-[(2-chlorophenyl)methyl]-N-(1-naphthalen-2-ylethylideneamino)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-(1-naphthalen-2-ylethylideneamino)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-(1-naphthalen-2-ylethylideneamino)piperidine-4-carboxamide is CC(=NNC(=O)C1CCN(Cc2ccccc2Cl)CC1)c1ccc2ccccc2c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-(1-naphthalen-2-ylethylideneamino)piperidine-4-carboxamide?
The InChIKey is GOGXRRQYQIJNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O/c1-18(21-11-10-19-6-2-3-7-22(19)16-21)27-28-25(30)20-12-14-29(15-13-20)17-23-8-4-5-9-24(23)26/h2-11,16,20H,12-15,17H2,1H3,(H,28,30).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-(1-naphthalen-2-ylethylideneamino)piperidine-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-(1-naphthalen-2-ylethylideneamino)piperidine-4-carboxamide has a molecular weight of 419.96 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-(1-naphthalen-2-ylethylideneamino)piperidine-4-carboxamide is sourced from PubChem (CID 5179015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).