4-anilino-1-benzyl-N-[2-(diaminomethylideneamino)ethyl]piperidine-4-carboxamide - Moligand™ , Antagonist of NPFF1 receptor;Antagonist of NPFF2 receptor, CAS No.A609235, Antagonist of NPFF1 receptor;Antagonist of NPFF2 receptor

CAS: A609235 Cat. No.: A609235 PubChem CID: 101882819

GRADE & PURITY Moligand™

Synonyms

compound 46

Storage

Room temperature

Specifications

Synonyms

compound 46

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of NPFF1 receptor;Antagonist of NPFF2 receptor

Names and Identifiers

• Canonical Smiles: NC(=N)NCCNC(=O)C1(CCN(CC1)Cc1ccccc1)Nc1ccccc1
• IUPAC Name: 4-anilino-1-benzyl-N-[2-(diaminomethylideneamino)ethyl]piperidine-4-carboxamide
• InChIKey: SCPYAGLHLAAYFP-UHFFFAOYSA-N
• INCHI: 1S/C22H30N6O/c23-21(24)26-14-13-25-20(29)22(27-19-9-5-2-6-10-19)11-15-28(16-12-22)17-18-7-3-1-4-8-18/h1-10,27H,11-17H2,(H,25,29)(H4,23,24,26)
• Isomeric SMILES: C1CN(CCC1(C(=O)NCCN=C(N)N)NC2=CC=CC=C2)CC3=CC=CC=C3
• PubChem CID: 101882819

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines
      • Subclass Benzylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Benzylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-benzylpiperidines
• Alternative Parents: Alpha amino acid amides Piperidinecarboxamides Aniline and substituted anilines Benzylamines Phenylalkylamines Phenylmethylamines Aminopiperidines Secondary alkylarylamines Trialkylamines Guanidines Secondary carboxylic acid amides Carboximidamides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-benzylpiperidine - Alpha-amino acid amide - Alpha-amino acid or derivatives - Piperidinecarboxamide - Phenylmethylamine - Phenylalkylamine - Aniline or substituted anilines - Benzylamine - 4-aminopiperidine - Aralkylamine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Secondary carboxylic acid amide - Tertiary aliphatic amine - Guanidine - Carboxamide group - Amino acid or derivatives - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboximidamide - Secondary amine - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

NPFFR2 Tchem Neuropeptide FF receptor 2 (0 Activities)

Discover Target: NPFFR2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

NPFFR1 Tchem Neuropeptide FF receptor 1 (1 Activities)

Discover Target: NPFFR1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

OPRM1 Tclin Mu opioid receptor (19785 Activities)

Discover Target: OPRM1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

OPRD1 Tclin Delta opioid receptor (15096 Activities)

Discover Target: OPRD1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

OPRK1 Tclin Kappa opioid receptor (16155 Activities)

Discover Target: OPRK1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Npffr1 Neuropeptide FF receptor 1 (7 Activities)

Discover Target: Npffr1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Npffr2 Neuropeptide FF receptor 2 (102 Activities)

Discover Target: Npffr2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action