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

C34H34BCl3F4N6O4 — CID 159105810

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

1-[3-chloro-5-(3,4-difluorophenyl)-4-pyridinyl]piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;(3,4-difluorophenyl)boronic acid (PubChem CID 159105810) has the molecular formula C34H34BCl3F4N6O4 and a molecular weight of 783.85 g/mol. Its IUPAC name is 1-[3-chloro-5-(3,4-difluorophenyl)-4-pyridinyl]piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;(3,4-difluorophenyl)boronic acid.

Molecular Properties

• Compound Name: 1-[3-chloro-5-(3,4-difluorophenyl)-4-pyridinyl]piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;(3,4-difluorophenyl)boronic acid
• PubChem CID: 159105810
• Molecular Formula: C34H34BCl3F4N6O4
• Molecular Weight: 783.85 g/mol
• Exact Mass: 782.17
• IUPAC Name: 1-[3-chloro-5-(3,4-difluorophenyl)-4-pyridinyl]piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;(3,4-difluorophenyl)boronic acid
• SMILES: NC(=O)C1CCN(c2c(Cl)cncc2-c2ccc(F)c(F)c2)CC1.NC(=O)C1CCN(c2c(Cl)cncc2Cl)CC1.OB(O)c1ccc(F)c(F)c1
• InChI: InChI=1S/C17H16ClF2N3O.C11H13Cl2N3O.C6H5BF2O2/c18-13-9-22-8-12(11-1-2-14(19)15(20)7-11)16(13)23-5-3-10(4-6-23)17(21)24;12-8-5-15-6-9(13)10(8)16-3-1-7(2-4-16)11(14)17;8-5-2-1-4(7(10)11)3-6(5)9/h1-2,7-10H,3-6H2,(H2,21,24);5-7H,1-4H2,(H2,14,17);1-3,10-11H
• InChIKey: KDWFNLPPTNRJTI-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 158.90 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	783.85
LogP ≤ 5	5.12
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-(3,4-difluorophenyl)-4-pyridinyl]piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;(3,4-difluorophenyl)boronic acid?

The IUPAC name of 1-[3-chloro-5-(3,4-difluorophenyl)-4-pyridinyl]piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;(3,4-difluorophenyl)boronic acid (CID 159105810) is 1-[3-chloro-5-(3,4-difluorophenyl)-4-pyridinyl]piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;(3,4-difluorophenyl)boronic acid.

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

The canonical SMILES for 1-[3-chloro-5-(3,4-difluorophenyl)-4-pyridinyl]piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;(3,4-difluorophenyl)boronic acid is NC(=O)C1CCN(c2c(Cl)cncc2-c2ccc(F)c(F)c2)CC1.NC(=O)C1CCN(c2c(Cl)cncc2Cl)CC1.OB(O)c1ccc(F)c(F)c1.

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

The InChIKey is KDWFNLPPTNRJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2N3O.C11H13Cl2N3O.C6H5BF2O2/c18-13-9-22-8-12(11-1-2-14(19)15(20)7-11)16(13)23-5-3-10(4-6-23)17(21)24;12-8-5-15-6-9(13)10(8)16-3-1-7(2-4-16)11(14)17;8-5-2-1-4(7(10)11)3-6(5)9/h1-2,7-10H,3-6H2,(H2,21,24);5-7H,1-4H2,(H2,14,17);1-3,10-11H.

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

1-[3-chloro-5-(3,4-difluorophenyl)-4-pyridinyl]piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;(3,4-difluorophenyl)boronic acid has a molecular weight of 783.85 g/mol, XLogP of 5.12, 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-(3,4-difluorophenyl)-4-pyridinyl]piperidine-4-carboxamide;1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide;(3,4-difluorophenyl)boronic acid is sourced from PubChem (CID 159105810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).