N-[(1S)-1-[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]-2,2,2-trifluoroethyl]-N,4-dimethyl-4-trimethylsilyloxypiperidine-1-carboxamide

C30H42F3N3O2Si — CID 174145232

About N-[(1S)-1-[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]-2,2,2-trifluoroethyl]-N,4-dimethyl-4-trimethylsilyloxypiperidine-1-carboxamide

N-[(1S)-1-[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]-2,2,2-trifluoroethyl]-N,4-dimethyl-4-trimethylsilyloxypiperidine-1-carboxamide (PubChem CID 174145232) has the molecular formula C30H42F3N3O2Si and a molecular weight of 561.77 g/mol. Its IUPAC name is N-[(1S)-1-[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]-2,2,2-trifluoroethyl]-N,4-dimethyl-4-trimethylsilyloxypiperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]-2,2,2-trifluoroethyl]-N,4-dimethyl-4-trimethylsilyloxypiperidine-1-carboxamide
• PubChem CID: 174145232
• Molecular Formula: C30H42F3N3O2Si
• Molecular Weight: 561.77 g/mol
• Exact Mass: 561.30
• IUPAC Name: N-[(1S)-1-[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]-2,2,2-trifluoroethyl]-N,4-dimethyl-4-trimethylsilyloxypiperidine-1-carboxamide
• SMILES: CN(C(=O)N1CCC(C)(O[Si](C)(C)C)CC1)[C@@H](c1ccc(NC2Cc3ccccc3C2(C)C)cc1)C(F)(F)F
• InChI: InChI=1S/C30H42F3N3O2Si/c1-28(2)24-11-9-8-10-22(24)20-25(28)34-23-14-12-21(13-15-23)26(30(31,32)33)35(4)27(37)36-18-16-29(3,17-19-36)38-39(5,6)7/h8-15,25-26,34H,16-20H2,1-7H3/t25?,26-/m0/s1
• InChIKey: CTNSGRMLRKRASV-AMVUTOCUSA-N
• XLogP: 7.36
• TPSA: 44.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.77
LogP ≤ 5	7.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]-2,2,2-trifluoroethyl]-N,4-dimethyl-4-trimethylsilyloxypiperidine-1-carboxamide?

The IUPAC name of N-[(1S)-1-[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]-2,2,2-trifluoroethyl]-N,4-dimethyl-4-trimethylsilyloxypiperidine-1-carboxamide (CID 174145232) is N-[(1S)-1-[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]-2,2,2-trifluoroethyl]-N,4-dimethyl-4-trimethylsilyloxypiperidine-1-carboxamide.

What is the SMILES notation for N-[(1S)-1-[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]-2,2,2-trifluoroethyl]-N,4-dimethyl-4-trimethylsilyloxypiperidine-1-carboxamide?

The canonical SMILES for N-[(1S)-1-[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]-2,2,2-trifluoroethyl]-N,4-dimethyl-4-trimethylsilyloxypiperidine-1-carboxamide is CN(C(=O)N1CCC(C)(O[Si](C)(C)C)CC1)[C@@H](c1ccc(NC2Cc3ccccc3C2(C)C)cc1)C(F)(F)F.

What is the InChIKey of N-[(1S)-1-[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]-2,2,2-trifluoroethyl]-N,4-dimethyl-4-trimethylsilyloxypiperidine-1-carboxamide?

The InChIKey is CTNSGRMLRKRASV-AMVUTOCUSA-N. The full InChI is InChI=1S/C30H42F3N3O2Si/c1-28(2)24-11-9-8-10-22(24)20-25(28)34-23-14-12-21(13-15-23)26(30(31,32)33)35(4)27(37)36-18-16-29(3,17-19-36)38-39(5,6)7/h8-15,25-26,34H,16-20H2,1-7H3/t25?,26-/m0/s1.

What are the key properties of N-[(1S)-1-[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]-2,2,2-trifluoroethyl]-N,4-dimethyl-4-trimethylsilyloxypiperidine-1-carboxamide?

N-[(1S)-1-[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]-2,2,2-trifluoroethyl]-N,4-dimethyl-4-trimethylsilyloxypiperidine-1-carboxamide has a molecular weight of 561.77 g/mol, XLogP of 7.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]phenyl]-2,2,2-trifluoroethyl]-N,4-dimethyl-4-trimethylsilyloxypiperidine-1-carboxamide is sourced from PubChem (CID 174145232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).