tert-butyl (3R,4R,5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate

C29H30F3N3O6S — CID 135315505

About tert-butyl (3R,4R,5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate

tert-butyl (3R,4R,5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate (PubChem CID 135315505) has the molecular formula C29H30F3N3O6S and a molecular weight of 605.64 g/mol. Its IUPAC name is tert-butyl (3R,4R,5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (3R,4R,5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate
• PubChem CID: 135315505
• Molecular Formula: C29H30F3N3O6S
• Molecular Weight: 605.64 g/mol
• Exact Mass: 605.18
• IUPAC Name: tert-butyl (3R,4R,5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1C[C@@H](n2c3ccccc3c3ccccc32)[C@@H](O)[C@H](NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1
• InChI: InChI=1S/C29H30F3N3O6S/c1-28(2,3)41-27(37)34-16-22(33-42(38,39)19-14-12-18(13-15-19)40-29(30,31)32)26(36)25(17-34)35-23-10-6-4-8-20(23)21-9-5-7-11-24(21)35/h4-15,22,25-26,33,36H,16-17H2,1-3H3/t22-,25-,26+/m1/s1
• InChIKey: XFYDBKNRJBJYHW-RCXJIHSJSA-N
• XLogP: 5.19
• TPSA: 110.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.64
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R,5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate?

The IUPAC name of tert-butyl (3R,4R,5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate (CID 135315505) is tert-butyl (3R,4R,5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl (3R,4R,5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl (3R,4R,5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@@H](n2c3ccccc3c3ccccc32)[C@@H](O)[C@H](NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1.

What is the InChIKey of tert-butyl (3R,4R,5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate?

The InChIKey is XFYDBKNRJBJYHW-RCXJIHSJSA-N. The full InChI is InChI=1S/C29H30F3N3O6S/c1-28(2,3)41-27(37)34-16-22(33-42(38,39)19-14-12-18(13-15-19)40-29(30,31)32)26(36)25(17-34)35-23-10-6-4-8-20(23)21-9-5-7-11-24(21)35/h4-15,22,25-26,33,36H,16-17H2,1-3H3/t22-,25-,26+/m1/s1.

What are the key properties of tert-butyl (3R,4R,5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate?

tert-butyl (3R,4R,5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate has a molecular weight of 605.64 g/mol, XLogP of 5.19, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3R,4R,5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 135315505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).