5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-2-ylbenzoyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-3-ylbenzoyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyrimidin-5-ylbenzoyl)piperidine-3-carboxamide

C74H68F6N10O6 — CID 158503821

IUPAC5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-2-ylbenzoyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-3-ylbenzoyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyrimidin-5-ylbenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CN(C(=O)c3cccc(-c4ccccn4)c3)CC(F)(F)C2)cc1.Cc1ccc(NC(=O)C2CN(C(=O)c3cccc(-c4cccnc4)c3)CC(F)(F)C2)cc1.Cc1ccc(NC(=O)C2CN(C(=O)c3cccc(-c4cncnc4)c3)CC(F)(F)C2)cc1
InChIInChI=1S/2C25H23F2N3O2.C24H22F2N4O2/c1-17-7-9-22(10-8-17)29-23(31)21-13-25(26,27)16-30(15-21)24(32)19-5-2-4-18(12-19)20-6-3-11-28-14-20;1-17-8-10-21(11-9-17)29-23(31)20-14-25(26,27)16-30(15-20)24(32)19-6-4-5-18(13-19)22-7-2-3-12-28-22;1-16-5-7-21(8-6-16)29-22(31)19-10-24(25,26)14-30(13-19)23(32)18-4-2-3-17(9-18)20-11-27-15-28-12-20/h2-12,14,21H,13,15-16H2,1H3,(H,29,31);2-13,20H,14-16H2,1H3,(H,29,31);2-9,11-12,15,19H,10,13-14H2,1H3,(H,29,31)
InChIKeyHKFOHDCYZOKWMV-UHFFFAOYSA-N
MW1307.41 g/mol
LogP13.77
Rot. Bonds12

About 5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-2-ylbenzoyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-3-ylbenzoyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyrimidin-5-ylbenzoyl)piperidine-3-carboxamide

5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-2-ylbenzoyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-3-ylbenzoyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyrimidin-5-ylbenzoyl)piperidine-3-carboxamide (PubChem CID 158503821) has the molecular formula C74H68F6N10O6 and a molecular weight of 1307.41 g/mol. Its IUPAC name is 5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-2-ylbenzoyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-3-ylbenzoyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyrimidin-5-ylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-2-ylbenzoyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-3-ylbenzoyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyrimidin-5-ylbenzoyl)piperidine-3-carboxamide
PubChem CID158503821
Molecular FormulaC74H68F6N10O6
Molecular Weight1307.41 g/mol
Exact Mass1306.52
IUPAC Name5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-2-ylbenzoyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-3-ylbenzoyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyrimidin-5-ylbenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CN(C(=O)c3cccc(-c4ccccn4)c3)CC(F)(F)C2)cc1.Cc1ccc(NC(=O)C2CN(C(=O)c3cccc(-c4cccnc4)c3)CC(F)(F)C2)cc1.Cc1ccc(NC(=O)C2CN(C(=O)c3cccc(-c4cncnc4)c3)CC(F)(F)C2)cc1
InChIInChI=1S/2C25H23F2N3O2.C24H22F2N4O2/c1-17-7-9-22(10-8-17)29-23(31)21-13-25(26,27)16-30(15-21)24(32)19-5-2-4-18(12-19)20-6-3-11-28-14-20;1-17-8-10-21(11-9-17)29-23(31)20-14-25(26,27)16-30(15-20)24(32)19-6-4-5-18(13-19)22-7-2-3-12-28-22;1-16-5-7-21(8-6-16)29-22(31)19-10-24(25,26)14-30(13-19)23(32)18-4-2-3-17(9-18)20-11-27-15-28-12-20/h2-12,14,21H,13,15-16H2,1H3,(H,29,31);2-13,20H,14-16H2,1H3,(H,29,31);2-9,11-12,15,19H,10,13-14H2,1H3,(H,29,31)
InChIKeyHKFOHDCYZOKWMV-UHFFFAOYSA-N
XLogP13.77
TPSA199.79 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001307.41
LogP ≤ 513.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-2-ylbenzoyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-3-ylbenzoyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyrimidin-5-ylbenzoyl)piperidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-2-ylbenzoyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-3-ylbenzoyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyrimidin-5-ylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of 5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-2-ylbenzoyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-3-ylbenzoyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyrimidin-5-ylbenzoyl)piperidine-3-carboxamide (CID 158503821) is 5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-2-ylbenzoyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-3-ylbenzoyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyrimidin-5-ylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for 5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-2-ylbenzoyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-3-ylbenzoyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyrimidin-5-ylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for 5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-2-ylbenzoyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-3-ylbenzoyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyrimidin-5-ylbenzoyl)piperidine-3-carboxamide is Cc1ccc(NC(=O)C2CN(C(=O)c3cccc(-c4ccccn4)c3)CC(F)(F)C2)cc1.Cc1ccc(NC(=O)C2CN(C(=O)c3cccc(-c4cccnc4)c3)CC(F)(F)C2)cc1.Cc1ccc(NC(=O)C2CN(C(=O)c3cccc(-c4cncnc4)c3)CC(F)(F)C2)cc1.
What is the InChIKey of 5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-2-ylbenzoyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-3-ylbenzoyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyrimidin-5-ylbenzoyl)piperidine-3-carboxamide?
The InChIKey is HKFOHDCYZOKWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H23F2N3O2.C24H22F2N4O2/c1-17-7-9-22(10-8-17)29-23(31)21-13-25(26,27)16-30(15-21)24(32)19-5-2-4-18(12-19)20-6-3-11-28-14-20;1-17-8-10-21(11-9-17)29-23(31)20-14-25(26,27)16-30(15-20)24(32)19-6-4-5-18(13-19)22-7-2-3-12-28-22;1-16-5-7-21(8-6-16)29-22(31)19-10-24(25,26)14-30(13-19)23(32)18-4-2-3-17(9-18)20-11-27-15-28-12-20/h2-12,14,21H,13,15-16H2,1H3,(H,29,31);2-13,20H,14-16H2,1H3,(H,29,31);2-9,11-12,15,19H,10,13-14H2,1H3,(H,29,31).
What are the key properties of 5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-2-ylbenzoyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-3-ylbenzoyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyrimidin-5-ylbenzoyl)piperidine-3-carboxamide?
5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-2-ylbenzoyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-3-ylbenzoyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyrimidin-5-ylbenzoyl)piperidine-3-carboxamide has a molecular weight of 1307.41 g/mol, XLogP of 13.77, 12 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-2-ylbenzoyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-3-ylbenzoyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyrimidin-5-ylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 158503821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).