1-[3-chloro-5-(4-fluorophenyl)-4-pyridinyl]piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;(4-fluorophenyl)boronic acid

C34H36BCl3F2N6O4 — CID 158420292

About 1-[3-chloro-5-(4-fluorophenyl)-4-pyridinyl]piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;(4-fluorophenyl)boronic acid

1-[3-chloro-5-(4-fluorophenyl)-4-pyridinyl]piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;(4-fluorophenyl)boronic acid (PubChem CID 158420292) has the molecular formula C34H36BCl3F2N6O4 and a molecular weight of 747.87 g/mol. Its IUPAC name is 1-[3-chloro-5-(4-fluorophenyl)-4-pyridinyl]piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;(4-fluorophenyl)boronic acid.

Molecular Properties

• Compound Name: 1-[3-chloro-5-(4-fluorophenyl)-4-pyridinyl]piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;(4-fluorophenyl)boronic acid
• PubChem CID: 158420292
• Molecular Formula: C34H36BCl3F2N6O4
• Molecular Weight: 747.87 g/mol
• Exact Mass: 746.19
• IUPAC Name: 1-[3-chloro-5-(4-fluorophenyl)-4-pyridinyl]piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;(4-fluorophenyl)boronic acid
• SMILES: NC(=O)C1CCN(c2c(Cl)cncc2-c2ccc(F)cc2)CC1.NC(=O)C1CCN(c2c(Cl)cncc2Cl)CC1.OB(O)c1ccc(F)cc1
• InChI: InChI=1S/C17H17ClFN3O.C11H13Cl2N3O.C6H6BFO2/c18-15-10-21-9-14(11-1-3-13(19)4-2-11)16(15)22-7-5-12(6-8-22)17(20)23;12-8-5-15-6-9(13)10(8)16-3-1-7(2-4-16)11(14)17;8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10,12H,5-8H2,(H2,20,23);5-7H,1-4H2,(H2,14,17);1-4,9-10H
• InChIKey: HAKGAMQUBGMJIM-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 158.90 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	747.87
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(4-fluorophenyl)-4-pyridinyl]piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;(4-fluorophenyl)boronic acid?

The IUPAC name of 1-[3-chloro-5-(4-fluorophenyl)-4-pyridinyl]piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;(4-fluorophenyl)boronic acid (CID 158420292) is 1-[3-chloro-5-(4-fluorophenyl)-4-pyridinyl]piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;(4-fluorophenyl)boronic acid.

What is the SMILES notation for 1-[3-chloro-5-(4-fluorophenyl)-4-pyridinyl]piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;(4-fluorophenyl)boronic acid?

The canonical SMILES for 1-[3-chloro-5-(4-fluorophenyl)-4-pyridinyl]piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;(4-fluorophenyl)boronic acid is NC(=O)C1CCN(c2c(Cl)cncc2-c2ccc(F)cc2)CC1.NC(=O)C1CCN(c2c(Cl)cncc2Cl)CC1.OB(O)c1ccc(F)cc1.

What is the InChIKey of 1-[3-chloro-5-(4-fluorophenyl)-4-pyridinyl]piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;(4-fluorophenyl)boronic acid?

The InChIKey is HAKGAMQUBGMJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O.C11H13Cl2N3O.C6H6BFO2/c18-15-10-21-9-14(11-1-3-13(19)4-2-11)16(15)22-7-5-12(6-8-22)17(20)23;12-8-5-15-6-9(13)10(8)16-3-1-7(2-4-16)11(14)17;8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10,12H,5-8H2,(H2,20,23);5-7H,1-4H2,(H2,14,17);1-4,9-10H.

What are the key properties of 1-[3-chloro-5-(4-fluorophenyl)-4-pyridinyl]piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;(4-fluorophenyl)boronic acid?

1-[3-chloro-5-(4-fluorophenyl)-4-pyridinyl]piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;(4-fluorophenyl)boronic acid has a molecular weight of 747.87 g/mol, XLogP of 4.84, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-chloro-5-(4-fluorophenyl)-4-pyridinyl]piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;(4-fluorophenyl)boronic acid is sourced from PubChem (CID 158420292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).