propan-2-yl (2R,3R)-2-[(6-phenyl-2-pyridinyl)methyl]-3-(2,2,2-trifluoroethylsulfonylamino)piperidine-1-carboxylate

C23H28F3N3O4S — CID 137460858

IUPACpropan-2-yl (2R,3R)-2-[(6-phenyl-2-pyridinyl)methyl]-3-(2,2,2-trifluoroethylsulfonylamino)piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC[C@@H](NS(=O)(=O)CC(F)(F)F)[C@H]1Cc1cccc(-c2ccccc2)n1
InChIInChI=1S/C23H28F3N3O4S/c1-16(2)33-22(30)29-13-7-12-20(28-34(31,32)15-23(24,25)26)21(29)14-18-10-6-11-19(27-18)17-8-4-3-5-9-17/h3-6,8-11,16,20-21,28H,7,12-15H2,1-2H3/t20-,21-/m1/s1
InChIKeyOPAQZQMUAJLHFZ-NHCUHLMSSA-N
MW499.56 g/mol
LogP4.15
Rot. Bonds7

About propan-2-yl (2R,3R)-2-[(6-phenyl-2-pyridinyl)methyl]-3-(2,2,2-trifluoroethylsulfonylamino)piperidine-1-carboxylate

propan-2-yl (2R,3R)-2-[(6-phenyl-2-pyridinyl)methyl]-3-(2,2,2-trifluoroethylsulfonylamino)piperidine-1-carboxylate (PubChem CID 137460858) has the molecular formula C23H28F3N3O4S and a molecular weight of 499.56 g/mol. Its IUPAC name is propan-2-yl (2R,3R)-2-[(6-phenyl-2-pyridinyl)methyl]-3-(2,2,2-trifluoroethylsulfonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (2R,3R)-2-[(6-phenyl-2-pyridinyl)methyl]-3-(2,2,2-trifluoroethylsulfonylamino)piperidine-1-carboxylate
PubChem CID137460858
Molecular FormulaC23H28F3N3O4S
Molecular Weight499.56 g/mol
Exact Mass499.18
IUPAC Namepropan-2-yl (2R,3R)-2-[(6-phenyl-2-pyridinyl)methyl]-3-(2,2,2-trifluoroethylsulfonylamino)piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC[C@@H](NS(=O)(=O)CC(F)(F)F)[C@H]1Cc1cccc(-c2ccccc2)n1
InChIInChI=1S/C23H28F3N3O4S/c1-16(2)33-22(30)29-13-7-12-20(28-34(31,32)15-23(24,25)26)21(29)14-18-10-6-11-19(27-18)17-8-4-3-5-9-17/h3-6,8-11,16,20-21,28H,7,12-15H2,1-2H3/t20-,21-/m1/s1
InChIKeyOPAQZQMUAJLHFZ-NHCUHLMSSA-N
XLogP4.15
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.56
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propan-2-yl (2R,3R)-2-[(6-phenyl-2-pyridinyl)methyl]-3-(2,2,2-trifluoroethylsulfonylamino)piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

propan-2-yl (2R,3R)-3-(methanesulfonamido)-2-[(6-propan-2-yl-2-pyridinyl)methyl]piperidine-1-carboxylate
CID 137461992
propan-2-yl (2R,3R)-2-[(6-bromo-2-pyridinyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxylate
CID 137461196
(2S,3S)-N-ethyl-3-(methanesulfonamido)-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxamide
CID 137461285
propan-2-yl 3-(dimethylsulfamoylamino)-2-[(6-prop-1-en-2-yl-2-pyridinyl)methyl]piperidine-1-carboxylate
CID 137461606
propan-2-yl (2S,3S)-3-(oxetan-3-ylsulfonylamino)-2-[(6-prop-1-en-2-yl-2-pyridinyl)methyl]piperidine-1-carboxylate
CID 137461706
ethyl 3-amino-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxylate
CID 137470952
propan-2-yl 3-(methanesulfonamido)-2-[(3-pyrimidin-2-ylphenyl)methyl]piperidine-1-carboxylate
CID 137469761
propan-2-yl (2R,3R)-3-(methanesulfonamido)-2-(naphthalen-2-ylmethyl)piperidine-1-carboxylate
CID 137461538
3-amino-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxylic acid
CID 154960189
2,2,2-trifluoroethyl 3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461560
2-methylpropyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461277
2,2-difluoroethyl (2S,3S)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137462199

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R,3R)-2-[(6-phenyl-2-pyridinyl)methyl]-3-(2,2,2-trifluoroethylsulfonylamino)piperidine-1-carboxylate?
The IUPAC name of propan-2-yl (2R,3R)-2-[(6-phenyl-2-pyridinyl)methyl]-3-(2,2,2-trifluoroethylsulfonylamino)piperidine-1-carboxylate (CID 137460858) is propan-2-yl (2R,3R)-2-[(6-phenyl-2-pyridinyl)methyl]-3-(2,2,2-trifluoroethylsulfonylamino)piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl (2R,3R)-2-[(6-phenyl-2-pyridinyl)methyl]-3-(2,2,2-trifluoroethylsulfonylamino)piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl (2R,3R)-2-[(6-phenyl-2-pyridinyl)methyl]-3-(2,2,2-trifluoroethylsulfonylamino)piperidine-1-carboxylate is CC(C)OC(=O)N1CCC[C@@H](NS(=O)(=O)CC(F)(F)F)[C@H]1Cc1cccc(-c2ccccc2)n1.
What is the InChIKey of propan-2-yl (2R,3R)-2-[(6-phenyl-2-pyridinyl)methyl]-3-(2,2,2-trifluoroethylsulfonylamino)piperidine-1-carboxylate?
The InChIKey is OPAQZQMUAJLHFZ-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H28F3N3O4S/c1-16(2)33-22(30)29-13-7-12-20(28-34(31,32)15-23(24,25)26)21(29)14-18-10-6-11-19(27-18)17-8-4-3-5-9-17/h3-6,8-11,16,20-21,28H,7,12-15H2,1-2H3/t20-,21-/m1/s1.
What are the key properties of propan-2-yl (2R,3R)-2-[(6-phenyl-2-pyridinyl)methyl]-3-(2,2,2-trifluoroethylsulfonylamino)piperidine-1-carboxylate?
propan-2-yl (2R,3R)-2-[(6-phenyl-2-pyridinyl)methyl]-3-(2,2,2-trifluoroethylsulfonylamino)piperidine-1-carboxylate has a molecular weight of 499.56 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R,3R)-2-[(6-phenyl-2-pyridinyl)methyl]-3-(2,2,2-trifluoroethylsulfonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 137460858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).