N-[(1R,5R,7S)-5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl]-4-[3-[[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]amino]phenoxy]piperidine-1-carboxamide

C38H40F3N3O4 — CID 143150868

About N-[(1R,5R,7S)-5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl]-4-[3-[[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]amino]phenoxy]piperidine-1-carboxamide

N-[(1R,5R,7S)-5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl]-4-[3-[[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]amino]phenoxy]piperidine-1-carboxamide (PubChem CID 143150868) has the molecular formula C38H40F3N3O4 and a molecular weight of 659.75 g/mol. Its IUPAC name is N-[(1R,5R,7S)-5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl]-4-[3-[[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]amino]phenoxy]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,5R,7S)-5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl]-4-[3-[[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]amino]phenoxy]piperidine-1-carboxamide
• PubChem CID: 143150868
• Molecular Formula: C38H40F3N3O4
• Molecular Weight: 659.75 g/mol
• Exact Mass: 659.30
• IUPAC Name: N-[(1R,5R,7S)-5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl]-4-[3-[[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]amino]phenoxy]piperidine-1-carboxamide
• SMILES: Cc1cccc(C(=O)Nc2cccc(OC3CCN(C(=O)N[C@@]4(C)C=C5C[C@H]6C[C@@H](CC56)C4)CC3)c2)c1-c1ccc(OC(F)(F)F)cc1
• InChI: InChI=1S/C38H40F3N3O4/c1-23-5-3-8-32(34(23)25-9-11-30(12-10-25)48-38(39,40)41)35(45)42-28-6-4-7-31(20-28)47-29-13-15-44(16-14-29)36(46)43-37(2)21-24-17-26-19-27(22-37)33(26)18-24/h3-12,20,22,24,26,29,33H,13-19,21H2,1-2H3,(H,42,45)(H,43,46)/t24-,26+,33?,37+/m0/s1
• InChIKey: IFGOCRQQKZLXCF-AQTGBBBLSA-N
• XLogP: 8.50
• TPSA: 79.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	659.75
LogP ≤ 5	8.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R,7S)-5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl]-4-[3-[[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]amino]phenoxy]piperidine-1-carboxamide?

The IUPAC name of N-[(1R,5R,7S)-5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl]-4-[3-[[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]amino]phenoxy]piperidine-1-carboxamide (CID 143150868) is N-[(1R,5R,7S)-5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl]-4-[3-[[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]amino]phenoxy]piperidine-1-carboxamide.

What is the SMILES notation for N-[(1R,5R,7S)-5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl]-4-[3-[[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]amino]phenoxy]piperidine-1-carboxamide?

The canonical SMILES for N-[(1R,5R,7S)-5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl]-4-[3-[[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]amino]phenoxy]piperidine-1-carboxamide is Cc1cccc(C(=O)Nc2cccc(OC3CCN(C(=O)N[C@@]4(C)C=C5C[C@H]6C[C@@H](CC56)C4)CC3)c2)c1-c1ccc(OC(F)(F)F)cc1.

What is the InChIKey of N-[(1R,5R,7S)-5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl]-4-[3-[[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]amino]phenoxy]piperidine-1-carboxamide?

The InChIKey is IFGOCRQQKZLXCF-AQTGBBBLSA-N. The full InChI is InChI=1S/C38H40F3N3O4/c1-23-5-3-8-32(34(23)25-9-11-30(12-10-25)48-38(39,40)41)35(45)42-28-6-4-7-31(20-28)47-29-13-15-44(16-14-29)36(46)43-37(2)21-24-17-26-19-27(22-37)33(26)18-24/h3-12,20,22,24,26,29,33H,13-19,21H2,1-2H3,(H,42,45)(H,43,46)/t24-,26+,33?,37+/m0/s1.

What are the key properties of N-[(1R,5R,7S)-5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl]-4-[3-[[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]amino]phenoxy]piperidine-1-carboxamide?

N-[(1R,5R,7S)-5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl]-4-[3-[[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]amino]phenoxy]piperidine-1-carboxamide has a molecular weight of 659.75 g/mol, XLogP of 8.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,5R,7S)-5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl]-4-[3-[[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]amino]phenoxy]piperidine-1-carboxamide is sourced from PubChem (CID 143150868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).