3-[4-[tert-butyl(diphenyl)silyl]oxypiperidin-1-yl]-1-[[2,6-dichloro-4-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]pyrrolidin-2-one

C45H50Cl2F3N3O3Si — CID 67354732

About 3-[4-[tert-butyl(diphenyl)silyl]oxypiperidin-1-yl]-1-[[2,6-dichloro-4-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]pyrrolidin-2-one

3-[4-[tert-butyl(diphenyl)silyl]oxypiperidin-1-yl]-1-[[2,6-dichloro-4-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]pyrrolidin-2-one (PubChem CID 67354732) has the molecular formula C45H50Cl2F3N3O3Si and a molecular weight of 836.90 g/mol. Its IUPAC name is 3-[4-[tert-butyl(diphenyl)silyl]oxypiperidin-1-yl]-1-[[2,6-dichloro-4-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 3-[4-[tert-butyl(diphenyl)silyl]oxypiperidin-1-yl]-1-[[2,6-dichloro-4-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]pyrrolidin-2-one
• PubChem CID: 67354732
• Molecular Formula: C45H50Cl2F3N3O3Si
• Molecular Weight: 836.90 g/mol
• Exact Mass: 835.30
• IUPAC Name: 3-[4-[tert-butyl(diphenyl)silyl]oxypiperidin-1-yl]-1-[[2,6-dichloro-4-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]pyrrolidin-2-one
• SMILES: CC(C)(C)[Si](OC1CCN(C2CCN(Cc3c(Cl)cc(-c4ccc(C(=O)N5CCC(C(F)(F)F)CC5)cc4)cc3Cl)C2=O)CC1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C45H50Cl2F3N3O3Si/c1-44(2,3)57(36-10-6-4-7-11-36,37-12-8-5-9-13-37)56-35-20-25-51(26-21-35)41-22-27-53(43(41)55)30-38-39(46)28-33(29-40(38)47)31-14-16-32(17-15-31)42(54)52-23-18-34(19-24-52)45(48,49)50/h4-17,28-29,34-35,41H,18-27,30H2,1-3H3
• InChIKey: OTRBGMRAABKSNS-UHFFFAOYSA-N
• XLogP: 9.22
• TPSA: 53.09 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	836.90
LogP ≤ 5	9.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[tert-butyl(diphenyl)silyl]oxypiperidin-1-yl]-1-[[2,6-dichloro-4-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]pyrrolidin-2-one?

The IUPAC name of 3-[4-[tert-butyl(diphenyl)silyl]oxypiperidin-1-yl]-1-[[2,6-dichloro-4-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]pyrrolidin-2-one (CID 67354732) is 3-[4-[tert-butyl(diphenyl)silyl]oxypiperidin-1-yl]-1-[[2,6-dichloro-4-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]pyrrolidin-2-one.

What is the SMILES notation for 3-[4-[tert-butyl(diphenyl)silyl]oxypiperidin-1-yl]-1-[[2,6-dichloro-4-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]pyrrolidin-2-one?

The canonical SMILES for 3-[4-[tert-butyl(diphenyl)silyl]oxypiperidin-1-yl]-1-[[2,6-dichloro-4-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]pyrrolidin-2-one is CC(C)(C)[Si](OC1CCN(C2CCN(Cc3c(Cl)cc(-c4ccc(C(=O)N5CCC(C(F)(F)F)CC5)cc4)cc3Cl)C2=O)CC1)(c1ccccc1)c1ccccc1.

What is the InChIKey of 3-[4-[tert-butyl(diphenyl)silyl]oxypiperidin-1-yl]-1-[[2,6-dichloro-4-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]pyrrolidin-2-one?

The InChIKey is OTRBGMRAABKSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H50Cl2F3N3O3Si/c1-44(2,3)57(36-10-6-4-7-11-36,37-12-8-5-9-13-37)56-35-20-25-51(26-21-35)41-22-27-53(43(41)55)30-38-39(46)28-33(29-40(38)47)31-14-16-32(17-15-31)42(54)52-23-18-34(19-24-52)45(48,49)50/h4-17,28-29,34-35,41H,18-27,30H2,1-3H3.

What are the key properties of 3-[4-[tert-butyl(diphenyl)silyl]oxypiperidin-1-yl]-1-[[2,6-dichloro-4-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]pyrrolidin-2-one?

3-[4-[tert-butyl(diphenyl)silyl]oxypiperidin-1-yl]-1-[[2,6-dichloro-4-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]pyrrolidin-2-one has a molecular weight of 836.90 g/mol, XLogP of 9.22, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[tert-butyl(diphenyl)silyl]oxypiperidin-1-yl]-1-[[2,6-dichloro-4-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 67354732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).