(2S)-2-[(5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-(trifluoromethyl)-3-trimethylsilyloxypiperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide

C33H43F4N3O3Si2 — CID 164584672

IUPAC(2S)-2-[(5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-(trifluoromethyl)-3-trimethylsilyloxypiperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(F)cn1)N1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC(O[Si](C)(C)C)(C(F)(F)F)C1
InChIInChI=1S/C33H43F4N3O3Si2/c1-24(30(41)39-29-19-18-25(34)21-38-29)40-22-26(20-32(23-40,33(35,36)37)43-44(5,6)7)42-45(31(2,3)4,27-14-10-8-11-15-27)28-16-12-9-13-17-28/h8-19,21,24,26H,20,22-23H2,1-7H3,(H,38,39,41)/t24-,26+,32?/m0/s1
InChIKeyJQFQZGJISFKSDD-DLLCPAIYSA-N
MW661.89 g/mol
LogP6.35
Rot. Bonds9

About (2S)-2-[(5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-(trifluoromethyl)-3-trimethylsilyloxypiperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide

(2S)-2-[(5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-(trifluoromethyl)-3-trimethylsilyloxypiperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide (PubChem CID 164584672) has the molecular formula C33H43F4N3O3Si2 and a molecular weight of 661.89 g/mol. Its IUPAC name is (2S)-2-[(5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-(trifluoromethyl)-3-trimethylsilyloxypiperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-(trifluoromethyl)-3-trimethylsilyloxypiperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide
PubChem CID164584672
Molecular FormulaC33H43F4N3O3Si2
Molecular Weight661.89 g/mol
Exact Mass661.28
IUPAC Name(2S)-2-[(5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-(trifluoromethyl)-3-trimethylsilyloxypiperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(F)cn1)N1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC(O[Si](C)(C)C)(C(F)(F)F)C1
InChIInChI=1S/C33H43F4N3O3Si2/c1-24(30(41)39-29-19-18-25(34)21-38-29)40-22-26(20-32(23-40,33(35,36)37)43-44(5,6)7)42-45(31(2,3)4,27-14-10-8-11-15-27)28-16-12-9-13-17-28/h8-19,21,24,26H,20,22-23H2,1-7H3,(H,38,39,41)/t24-,26+,32?/m0/s1
InChIKeyJQFQZGJISFKSDD-DLLCPAIYSA-N
XLogP6.35
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.89
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-(trifluoromethyl)-3-trimethylsilyloxypiperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide?
The IUPAC name of (2S)-2-[(5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-(trifluoromethyl)-3-trimethylsilyloxypiperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide (CID 164584672) is (2S)-2-[(5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-(trifluoromethyl)-3-trimethylsilyloxypiperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide.
What is the SMILES notation for (2S)-2-[(5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-(trifluoromethyl)-3-trimethylsilyloxypiperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide?
The canonical SMILES for (2S)-2-[(5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-(trifluoromethyl)-3-trimethylsilyloxypiperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide is C[C@@H](C(=O)Nc1ccc(F)cn1)N1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC(O[Si](C)(C)C)(C(F)(F)F)C1.
What is the InChIKey of (2S)-2-[(5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-(trifluoromethyl)-3-trimethylsilyloxypiperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide?
The InChIKey is JQFQZGJISFKSDD-DLLCPAIYSA-N. The full InChI is InChI=1S/C33H43F4N3O3Si2/c1-24(30(41)39-29-19-18-25(34)21-38-29)40-22-26(20-32(23-40,33(35,36)37)43-44(5,6)7)42-45(31(2,3)4,27-14-10-8-11-15-27)28-16-12-9-13-17-28/h8-19,21,24,26H,20,22-23H2,1-7H3,(H,38,39,41)/t24-,26+,32?/m0/s1.
What are the key properties of (2S)-2-[(5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-(trifluoromethyl)-3-trimethylsilyloxypiperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide?
(2S)-2-[(5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-(trifluoromethyl)-3-trimethylsilyloxypiperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide has a molecular weight of 661.89 g/mol, XLogP of 6.35, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-(trifluoromethyl)-3-trimethylsilyloxypiperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide is sourced from PubChem (CID 164584672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).