tert-butyl N-[5-[[2-[(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidine;2-[(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5,6-dimethyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5R)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5,6-dimethyl-3-pyridinyl)-2-oxoacetamide;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid

C92H104F12N14O13 — CID 165051411

About tert-butyl N-[5-[[2-[(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidine;2-[(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5,6-dimethyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5R)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5,6-dimethyl-3-pyridinyl)-2-oxoacetamide;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid

tert-butyl N-[5-[[2-[(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidine;2-[(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5,6-dimethyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5R)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5,6-dimethyl-3-pyridinyl)-2-oxoacetamide;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid (PubChem CID 165051411) has the molecular formula C92H104F12N14O13 and a molecular weight of 1841.90 g/mol. Its IUPAC name is tert-butyl N-[5-[[2-[(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidine;2-[(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5,6-dimethyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5R)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5,6-dimethyl-3-pyridinyl)-2-oxoacetamide;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid.

Molecular Properties

• Compound Name: tert-butyl N-[5-[[2-[(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidine;2-[(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5,6-dimethyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5R)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5,6-dimethyl-3-pyridinyl)-2-oxoacetamide;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid
• PubChem CID: 165051411
• Molecular Formula: C92H104F12N14O13
• Molecular Weight: 1841.90 g/mol
• Exact Mass: 1840.77
• IUPAC Name: tert-butyl N-[5-[[2-[(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidine;2-[(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5,6-dimethyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5R)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5,6-dimethyl-3-pyridinyl)-2-oxoacetamide;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid
• SMILES: C[C@H]1CN[C@H](c2ccc(F)cc2)CC1(F)F.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)C(F)(F)C[C@@H]2c2ccc(F)cc2)cnc1C.Cc1cc(NC(=O)C(=O)N2C[C@H](C)C(F)(F)C[C@H]2c2ccc(F)cc2)cnc1C.Cc1cc(NC(=O)C(=O)N2C[C@H](C)C(F)(F)C[C@H]2c2ccc(F)cc2)cnc1NC(=O)OC(C)(C)C.Cc1cc(NC(=O)C(=O)O)cnc1NC(=O)OC(C)(C)C
• InChI: InChI=1S/C25H29F3N4O4.2C21H22F3N3O2.C13H17N3O5.C12H14F3N/c1-14-10-18(12-29-20(14)31-23(35)36-24(3,4)5)30-21(33)22(34)32-13-15(2)25(27,28)11-19(32)16-6-8-17(26)9-7-16;2*1-12-8-17(10-25-14(12)3)26-19(28)20(29)27-11-13(2)21(23,24)9-18(27)15-4-6-16(22)7-5-15;1-7-5-8(15-10(17)11(18)19)6-14-9(7)16-12(20)21-13(2,3)4;1-8-7-16-11(6-12(8,14)15)9-2-4-10(13)5-3-9/h6-10,12,15,19H,11,13H2,1-5H3,(H,30,33)(H,29,31,35);2*4-8,10,13,18H,9,11H2,1-3H3,(H,26,28);5-6H,1-4H3,(H,15,17)(H,18,19)(H,14,16,20);2-5,8,11,16H,6-7H2,1H3/t15-,19-;2*13-,18-;;8-,11-/m010.0/s1
• InChIKey: PSJMIRHVAJTTFH-FQLGWORGSA-N
• XLogP: 17.99
• TPSA: 354.88 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1841.90
LogP ≤ 5	17.99
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[[2-[(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidine;2-[(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5,6-dimethyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5R)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5,6-dimethyl-3-pyridinyl)-2-oxoacetamide;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid?

The IUPAC name of tert-butyl N-[5-[[2-[(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidine;2-[(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5,6-dimethyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5R)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5,6-dimethyl-3-pyridinyl)-2-oxoacetamide;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid (CID 165051411) is tert-butyl N-[5-[[2-[(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidine;2-[(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5,6-dimethyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5R)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5,6-dimethyl-3-pyridinyl)-2-oxoacetamide;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid.

What is the SMILES notation for tert-butyl N-[5-[[2-[(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidine;2-[(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5,6-dimethyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5R)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5,6-dimethyl-3-pyridinyl)-2-oxoacetamide;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid?

The canonical SMILES for tert-butyl N-[5-[[2-[(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidine;2-[(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5,6-dimethyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5R)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5,6-dimethyl-3-pyridinyl)-2-oxoacetamide;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid is C[C@H]1CN[C@H](c2ccc(F)cc2)CC1(F)F.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)C(F)(F)C[C@@H]2c2ccc(F)cc2)cnc1C.Cc1cc(NC(=O)C(=O)N2C[C@H](C)C(F)(F)C[C@H]2c2ccc(F)cc2)cnc1C.Cc1cc(NC(=O)C(=O)N2C[C@H](C)C(F)(F)C[C@H]2c2ccc(F)cc2)cnc1NC(=O)OC(C)(C)C.Cc1cc(NC(=O)C(=O)O)cnc1NC(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl N-[5-[[2-[(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidine;2-[(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5,6-dimethyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5R)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5,6-dimethyl-3-pyridinyl)-2-oxoacetamide;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid?

The InChIKey is PSJMIRHVAJTTFH-FQLGWORGSA-N. The full InChI is InChI=1S/C25H29F3N4O4.2C21H22F3N3O2.C13H17N3O5.C12H14F3N/c1-14-10-18(12-29-20(14)31-23(35)36-24(3,4)5)30-21(33)22(34)32-13-15(2)25(27,28)11-19(32)16-6-8-17(26)9-7-16;2*1-12-8-17(10-25-14(12)3)26-19(28)20(29)27-11-13(2)21(23,24)9-18(27)15-4-6-16(22)7-5-15;1-7-5-8(15-10(17)11(18)19)6-14-9(7)16-12(20)21-13(2,3)4;1-8-7-16-11(6-12(8,14)15)9-2-4-10(13)5-3-9/h6-10,12,15,19H,11,13H2,1-5H3,(H,30,33)(H,29,31,35);2*4-8,10,13,18H,9,11H2,1-3H3,(H,26,28);5-6H,1-4H3,(H,15,17)(H,18,19)(H,14,16,20);2-5,8,11,16H,6-7H2,1H3/t15-,19-;2*13-,18-;;8-,11-/m010.0/s1.

What are the key properties of tert-butyl N-[5-[[2-[(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidine;2-[(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5,6-dimethyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5R)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5,6-dimethyl-3-pyridinyl)-2-oxoacetamide;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid?

tert-butyl N-[5-[[2-[(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidine;2-[(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5,6-dimethyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5R)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5,6-dimethyl-3-pyridinyl)-2-oxoacetamide;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid has a molecular weight of 1841.90 g/mol, XLogP of 17.99, 10 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[5-[[2-[(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidine;2-[(2S,5S)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5,6-dimethyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5R)-4,4-difluoro-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-N-(5,6-dimethyl-3-pyridinyl)-2-oxoacetamide;2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetic acid is sourced from PubChem (CID 165051411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).