N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]cyclobutanecarboxamide;N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-fluorobenzamide;N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-3-methylimidazole-4-carboxamide

C68H79F10N11O6 — CID 159528157

About N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]cyclobutanecarboxamide;N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-fluorobenzamide;N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-3-methylimidazole-4-carboxamide

N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]cyclobutanecarboxamide;N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-fluorobenzamide;N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-3-methylimidazole-4-carboxamide (PubChem CID 159528157) has the molecular formula C68H79F10N11O6 and a molecular weight of 1336.43 g/mol. Its IUPAC name is N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]cyclobutanecarboxamide;N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-fluorobenzamide;N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-3-methylimidazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]cyclobutanecarboxamide;N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-fluorobenzamide;N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-3-methylimidazole-4-carboxamide
• PubChem CID: 159528157
• Molecular Formula: C68H79F10N11O6
• Molecular Weight: 1336.43 g/mol
• Exact Mass: 1335.61
• IUPAC Name: N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]cyclobutanecarboxamide;N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-fluorobenzamide;N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-3-methylimidazole-4-carboxamide
• SMILES: Cn1cncc1C(=O)NCC(=O)N1[C@@H]2CC[C@H]1CC([C@H](N)Cc1cc(F)c(F)cc1F)C2.N[C@H](Cc1cc(F)c(F)cc1F)C1C[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)C1CCC1.N[C@H](Cc1cc(F)c(F)cc1F)C1C[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)c1ccc(F)cc1
• InChI: InChI=1S/C24H25F4N3O2.C22H26F3N5O2.C22H28F3N3O2/c25-16-3-1-13(2-4-16)24(33)30-12-23(32)31-17-5-6-18(31)8-15(7-17)22(29)10-14-9-20(27)21(28)11-19(14)26;1-29-11-27-9-20(29)22(32)28-10-21(31)30-14-2-3-15(30)5-13(4-14)19(26)7-12-6-17(24)18(25)8-16(12)23;23-17-10-19(25)18(24)8-13(17)9-20(26)14-6-15-4-5-16(7-14)28(15)21(29)11-27-22(30)12-2-1-3-12/h1-4,9,11,15,17-18,22H,5-8,10,12,29H2,(H,30,33);6,8-9,11,13-15,19H,2-5,7,10,26H2,1H3,(H,28,32);8,10,12,14-16,20H,1-7,9,11,26H2,(H,27,30)/t15?,17-,18+,22-;13?,14-,15+,19-;14?,15-,16+,20-/m111/s1
• InChIKey: MCQJEGUCVFEMJC-WHTOYBPYSA-N
• XLogP: 7.88
• TPSA: 244.11 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 18
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1336.43
LogP ≤ 5	7.88
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]cyclobutanecarboxamide;N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-fluorobenzamide;N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-3-methylimidazole-4-carboxamide?

The IUPAC name of N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]cyclobutanecarboxamide;N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-fluorobenzamide;N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-3-methylimidazole-4-carboxamide (CID 159528157) is N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]cyclobutanecarboxamide;N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-fluorobenzamide;N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-3-methylimidazole-4-carboxamide.

What is the SMILES notation for N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]cyclobutanecarboxamide;N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-fluorobenzamide;N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-3-methylimidazole-4-carboxamide?

The canonical SMILES for N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]cyclobutanecarboxamide;N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-fluorobenzamide;N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-3-methylimidazole-4-carboxamide is Cn1cncc1C(=O)NCC(=O)N1[C@@H]2CC[C@H]1CC([C@H](N)Cc1cc(F)c(F)cc1F)C2.N[C@H](Cc1cc(F)c(F)cc1F)C1C[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)C1CCC1.N[C@H](Cc1cc(F)c(F)cc1F)C1C[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)c1ccc(F)cc1.

What is the InChIKey of N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]cyclobutanecarboxamide;N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-fluorobenzamide;N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-3-methylimidazole-4-carboxamide?

The InChIKey is MCQJEGUCVFEMJC-WHTOYBPYSA-N. The full InChI is InChI=1S/C24H25F4N3O2.C22H26F3N5O2.C22H28F3N3O2/c25-16-3-1-13(2-4-16)24(33)30-12-23(32)31-17-5-6-18(31)8-15(7-17)22(29)10-14-9-20(27)21(28)11-19(14)26;1-29-11-27-9-20(29)22(32)28-10-21(31)30-14-2-3-15(30)5-13(4-14)19(26)7-12-6-17(24)18(25)8-16(12)23;23-17-10-19(25)18(24)8-13(17)9-20(26)14-6-15-4-5-16(7-14)28(15)21(29)11-27-22(30)12-2-1-3-12/h1-4,9,11,15,17-18,22H,5-8,10,12,29H2,(H,30,33);6,8-9,11,13-15,19H,2-5,7,10,26H2,1H3,(H,28,32);8,10,12,14-16,20H,1-7,9,11,26H2,(H,27,30)/t15?,17-,18+,22-;13?,14-,15+,19-;14?,15-,16+,20-/m111/s1.

What are the key properties of N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]cyclobutanecarboxamide;N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-fluorobenzamide;N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-3-methylimidazole-4-carboxamide?

N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]cyclobutanecarboxamide;N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-fluorobenzamide;N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-3-methylimidazole-4-carboxamide has a molecular weight of 1336.43 g/mol, XLogP of 7.88, 18 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]cyclobutanecarboxamide;N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4-fluorobenzamide;N-[2-[(1S,5R)-3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 159528157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).