2-methoxyethyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate

C23H30N2O5S — CID 137460911

IUPAC2-methoxyethyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
SMILESCOCCOC(=O)N1CCC[C@@H](NS(C)(=O)=O)[C@H]1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C23H30N2O5S/c1-29-14-15-30-23(26)25-13-7-12-21(24-31(2,27)28)22(25)17-18-8-6-11-20(16-18)19-9-4-3-5-10-19/h3-6,8-11,16,21-22,24H,7,12-15,17H2,1-2H3/t21-,22-/m1/s1
InChIKeyDSUZLUTUVLUQGL-FGZHOGPDSA-N
MW446.57 g/mol
LogP3.06
Rot. Bonds8

About 2-methoxyethyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate

2-methoxyethyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate (PubChem CID 137460911) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is 2-methoxyethyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
PubChem CID137460911
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC Name2-methoxyethyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
SMILESCOCCOC(=O)N1CCC[C@@H](NS(C)(=O)=O)[C@H]1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C23H30N2O5S/c1-29-14-15-30-23(26)25-13-7-12-21(24-31(2,27)28)22(25)17-18-8-6-11-20(16-18)19-9-4-3-5-10-19/h3-6,8-11,16,21-22,24H,7,12-15,17H2,1-2H3/t21-,22-/m1/s1
InChIKeyDSUZLUTUVLUQGL-FGZHOGPDSA-N
XLogP3.06
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

cyclopropylmethyl (2S,3S)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461385
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
2,2,2-trifluoroethyl 3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461560
phenyl 3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461708
cyclopropyl 3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461302
cyclohexyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137460644
oxolan-2-ylmethyl 3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461161
methyl (2R,3R)-3-(methanesulfonamido)-2-[(3-pyridin-4-ylphenyl)methyl]piperidine-1-carboxylate
CID 137461805
N-[1-butanoyl-2-[(3-phenylphenyl)methyl]piperidin-3-yl]methanesulfonamide
CID 147041468
methyl 3-(methanesulfonamido)-2-[[3-(3-methylphenyl)phenyl]methyl]piperidine-1-carboxylate
CID 137461118
3-(methanesulfonamido)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]piperidine-1-carboxamide
CID 137461539

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate?
The IUPAC name of 2-methoxyethyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate (CID 137460911) is 2-methoxyethyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for 2-methoxyethyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate?
The canonical SMILES for 2-methoxyethyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate is COCCOC(=O)N1CCC[C@@H](NS(C)(=O)=O)[C@H]1Cc1cccc(-c2ccccc2)c1.
What is the InChIKey of 2-methoxyethyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate?
The InChIKey is DSUZLUTUVLUQGL-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-29-14-15-30-23(26)25-13-7-12-21(24-31(2,27)28)22(25)17-18-8-6-11-20(16-18)19-9-4-3-5-10-19/h3-6,8-11,16,21-22,24H,7,12-15,17H2,1-2H3/t21-,22-/m1/s1.
What are the key properties of 2-methoxyethyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate?
2-methoxyethyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate has a molecular weight of 446.57 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 137460911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).