5,5-difluoro-1-(3-fluoro-5-pyridin-4-ylbenzoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide;N-(3-ethylphenyl)-5,5-difluoro-1-(3-fluoro-5-pyridin-4-ylbenzoyl)piperidine-3-carboxamide

C51H43F9N6O5 — CID 168960224

IUPAC5,5-difluoro-1-(3-fluoro-5-pyridin-4-ylbenzoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide;N-(3-ethylphenyl)-5,5-difluoro-1-(3-fluoro-5-pyridin-4-ylbenzoyl)piperidine-3-carboxamide
SMILESCCc1cccc(NC(=O)C2CN(C(=O)c3cc(F)cc(-c4ccncc4)c3)CC(F)(F)C2)c1.O=C(Nc1cccc(OC(F)(F)F)c1)C1CN(C(=O)c2cc(F)cc(-c3ccncc3)c2)CC(F)(F)C1
InChIInChI=1S/C26H24F3N3O2.C25H19F6N3O3/c1-2-17-4-3-5-23(10-17)31-24(33)21-14-26(28,29)16-32(15-21)25(34)20-11-19(12-22(27)13-20)18-6-8-30-9-7-18;26-19-9-16(15-4-6-32-7-5-15)8-17(10-19)23(36)34-13-18(12-24(27,28)14-34)22(35)33-20-2-1-3-21(11-20)37-25(29,30)31/h3-13,21H,2,14-16H2,1H3,(H,31,33);1-11,18H,12-14H2,(H,33,35)
InChIKeyPVDGVHAMOLKPTP-UHFFFAOYSA-N
MW990.92 g/mol
LogP10.71
Rot. Bonds10

About 5,5-difluoro-1-(3-fluoro-5-pyridin-4-ylbenzoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide;N-(3-ethylphenyl)-5,5-difluoro-1-(3-fluoro-5-pyridin-4-ylbenzoyl)piperidine-3-carboxamide

5,5-difluoro-1-(3-fluoro-5-pyridin-4-ylbenzoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide;N-(3-ethylphenyl)-5,5-difluoro-1-(3-fluoro-5-pyridin-4-ylbenzoyl)piperidine-3-carboxamide (PubChem CID 168960224) has the molecular formula C51H43F9N6O5 and a molecular weight of 990.92 g/mol. Its IUPAC name is 5,5-difluoro-1-(3-fluoro-5-pyridin-4-ylbenzoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide;N-(3-ethylphenyl)-5,5-difluoro-1-(3-fluoro-5-pyridin-4-ylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name5,5-difluoro-1-(3-fluoro-5-pyridin-4-ylbenzoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide;N-(3-ethylphenyl)-5,5-difluoro-1-(3-fluoro-5-pyridin-4-ylbenzoyl)piperidine-3-carboxamide
PubChem CID168960224
Molecular FormulaC51H43F9N6O5
Molecular Weight990.92 g/mol
Exact Mass990.32
IUPAC Name5,5-difluoro-1-(3-fluoro-5-pyridin-4-ylbenzoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide;N-(3-ethylphenyl)-5,5-difluoro-1-(3-fluoro-5-pyridin-4-ylbenzoyl)piperidine-3-carboxamide
SMILESCCc1cccc(NC(=O)C2CN(C(=O)c3cc(F)cc(-c4ccncc4)c3)CC(F)(F)C2)c1.O=C(Nc1cccc(OC(F)(F)F)c1)C1CN(C(=O)c2cc(F)cc(-c3ccncc3)c2)CC(F)(F)C1
InChIInChI=1S/C26H24F3N3O2.C25H19F6N3O3/c1-2-17-4-3-5-23(10-17)31-24(33)21-14-26(28,29)16-32(15-21)25(34)20-11-19(12-22(27)13-20)18-6-8-30-9-7-18;26-19-9-16(15-4-6-32-7-5-15)8-17(10-19)23(36)34-13-18(12-24(27,28)14-34)22(35)33-20-2-1-3-21(11-20)37-25(29,30)31/h3-13,21H,2,14-16H2,1H3,(H,31,33);1-11,18H,12-14H2,(H,33,35)
InChIKeyPVDGVHAMOLKPTP-UHFFFAOYSA-N
XLogP10.71
TPSA133.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500990.92
LogP ≤ 510.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5,5-difluoro-1-(3-fluoro-5-pyridin-4-ylbenzoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide;N-(3-ethylphenyl)-5,5-difluoro-1-(3-fluoro-5-pyridin-4-ylbenzoyl)piperidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-1-(3-fluoro-5-pyridin-4-ylbenzoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide;N-(3-ethylphenyl)-5,5-difluoro-1-(3-fluoro-5-pyridin-4-ylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of 5,5-difluoro-1-(3-fluoro-5-pyridin-4-ylbenzoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide;N-(3-ethylphenyl)-5,5-difluoro-1-(3-fluoro-5-pyridin-4-ylbenzoyl)piperidine-3-carboxamide (CID 168960224) is 5,5-difluoro-1-(3-fluoro-5-pyridin-4-ylbenzoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide;N-(3-ethylphenyl)-5,5-difluoro-1-(3-fluoro-5-pyridin-4-ylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for 5,5-difluoro-1-(3-fluoro-5-pyridin-4-ylbenzoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide;N-(3-ethylphenyl)-5,5-difluoro-1-(3-fluoro-5-pyridin-4-ylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for 5,5-difluoro-1-(3-fluoro-5-pyridin-4-ylbenzoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide;N-(3-ethylphenyl)-5,5-difluoro-1-(3-fluoro-5-pyridin-4-ylbenzoyl)piperidine-3-carboxamide is CCc1cccc(NC(=O)C2CN(C(=O)c3cc(F)cc(-c4ccncc4)c3)CC(F)(F)C2)c1.O=C(Nc1cccc(OC(F)(F)F)c1)C1CN(C(=O)c2cc(F)cc(-c3ccncc3)c2)CC(F)(F)C1.
What is the InChIKey of 5,5-difluoro-1-(3-fluoro-5-pyridin-4-ylbenzoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide;N-(3-ethylphenyl)-5,5-difluoro-1-(3-fluoro-5-pyridin-4-ylbenzoyl)piperidine-3-carboxamide?
The InChIKey is PVDGVHAMOLKPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N3O2.C25H19F6N3O3/c1-2-17-4-3-5-23(10-17)31-24(33)21-14-26(28,29)16-32(15-21)25(34)20-11-19(12-22(27)13-20)18-6-8-30-9-7-18;26-19-9-16(15-4-6-32-7-5-15)8-17(10-19)23(36)34-13-18(12-24(27,28)14-34)22(35)33-20-2-1-3-21(11-20)37-25(29,30)31/h3-13,21H,2,14-16H2,1H3,(H,31,33);1-11,18H,12-14H2,(H,33,35).
What are the key properties of 5,5-difluoro-1-(3-fluoro-5-pyridin-4-ylbenzoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide;N-(3-ethylphenyl)-5,5-difluoro-1-(3-fluoro-5-pyridin-4-ylbenzoyl)piperidine-3-carboxamide?
5,5-difluoro-1-(3-fluoro-5-pyridin-4-ylbenzoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide;N-(3-ethylphenyl)-5,5-difluoro-1-(3-fluoro-5-pyridin-4-ylbenzoyl)piperidine-3-carboxamide has a molecular weight of 990.92 g/mol, XLogP of 10.71, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-1-(3-fluoro-5-pyridin-4-ylbenzoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide;N-(3-ethylphenyl)-5,5-difluoro-1-(3-fluoro-5-pyridin-4-ylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 168960224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).