User Information

• Synonyms (0)
• Vendors (3)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (4)

ZINC40162758

• 40162758

Physical Representations

Activity (Go SEA)

• 49750554
  

  Analogs

  36782929

  

  40162692

  

  Popular Name: 1-(2-cyanoethyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide 1-(2-cyanoethyl)-N-(3,4-dichloro…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 48240721

  • Molport

    • MolPort-009-008-855

  • Otava (Virtual)

    • 2092777

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	2.66	8.69	-59.88	2	4	1	57	327.235	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.66	6.45	-11.55	1	4	0	56	326.227	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC49750554
• 14912235
  

  Analogs

  31487023

  

  36782929

  

  36783001

  

  36783002

  

  36786479

  

  Popular Name: N-[5-chloro-2-(1-piperidyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide N-[5-chloro-2-(1-piperidyl)pheny…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 25006545

  • Molport

    • MolPort-007-317-591

  • Enamine

    • Z30689165

  • Mcule

    • MCULE-1383653979

  • Collaborative Drug Discovery

    • 1198303

  And 3 More

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	3.73	9.41	-14.86	1	5	0	53	389.927	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC14912235
• 31487023
  

  Analogs

  36782929

  

  36783001

  

  36783002

  

  36786479

  

  36786480

  

  Popular Name: N-[5-chloro-2-(1-piperidyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide N-[5-chloro-2-(1-piperidyl)pheny…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 24076516

  • Enamine

    • Z243926330

  • Mcule

    • MCULE-5952986771

  • PubChem

    • 38705071

  • Ambinter

    • Amb8261548

  And 1 More

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	4.56	9.4	-17.06	1	5	0	53	405.97	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC31487023
• 10343234
  

  Analogs

  10343243

  

  40162692

  

  40162707

  

  40162708

  

  40162757

  

  Popular Name: 1-(3-chlorophenyl)-N-(4-chlorophenyl)-piperidine-4-carboxamide 1-(3-chlorophenyl)-N-(4-chloroph…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Scientific Exchange (make on demand)

    • F-158892

  • PubChem

    • 17152881

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	4.95	-2.03	-9.45	1	3	0	32	349.261	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC10343234