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

C29H30F3N3O6S — CID 126673512

IUPACtert-butyl (5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(n2c3ccccc3c3ccccc32)C(O)[C@H](NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1
InChIInChI=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
InChIKeyXFYDBKNRJBJYHW-IKJWCUOUSA-N
MW605.64 g/mol
LogP5.19
Rot. Bonds5

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

tert-butyl (5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate (PubChem CID 126673512) has the molecular formula C29H30F3N3O6S and a molecular weight of 605.64 g/mol. Its IUPAC name is tert-butyl (5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate
PubChem CID126673512
Molecular FormulaC29H30F3N3O6S
Molecular Weight605.64 g/mol
Exact Mass605.18
IUPAC Nametert-butyl (5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(n2c3ccccc3c3ccccc32)C(O)[C@H](NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1
InChIInChI=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
InChIKeyXFYDBKNRJBJYHW-IKJWCUOUSA-N
XLogP5.19
TPSA110.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.64
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate (CID 126673512) is tert-butyl (5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(n2c3ccccc3c3ccccc32)C(O)[C@H](NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1.
What is the InChIKey of tert-butyl (5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate?
The InChIKey is XFYDBKNRJBJYHW-IKJWCUOUSA-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 (5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate?
tert-butyl (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 (5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 126673512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).