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

C26H34N2O4S — CID 137460644

IUPACcyclohexyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
SMILESCS(=O)(=O)N[C@@H]1CCCN(C(=O)OC2CCCCC2)[C@@H]1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C26H34N2O4S/c1-33(30,31)27-24-16-9-17-28(26(29)32-23-14-6-3-7-15-23)25(24)19-20-10-8-13-22(18-20)21-11-4-2-5-12-21/h2,4-5,8,10-13,18,23-25,27H,3,6-7,9,14-17,19H2,1H3/t24-,25-/m1/s1
InChIKeyGTRVBVDCTIHXOV-JWQCQUIFSA-N
MW470.64 g/mol
LogP4.75
Rot. Bonds6

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

cyclohexyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate (PubChem CID 137460644) has the molecular formula C26H34N2O4S and a molecular weight of 470.64 g/mol. Its IUPAC name is cyclohexyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namecyclohexyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
PubChem CID137460644
Molecular FormulaC26H34N2O4S
Molecular Weight470.64 g/mol
Exact Mass470.22
IUPAC Namecyclohexyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
SMILESCS(=O)(=O)N[C@@H]1CCCN(C(=O)OC2CCCCC2)[C@@H]1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C26H34N2O4S/c1-33(30,31)27-24-16-9-17-28(26(29)32-23-14-6-3-7-15-23)25(24)19-20-10-8-13-22(18-20)21-11-4-2-5-12-21/h2,4-5,8,10-13,18,23-25,27H,3,6-7,9,14-17,19H2,1H3/t24-,25-/m1/s1
InChIKeyGTRVBVDCTIHXOV-JWQCQUIFSA-N
XLogP4.75
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.64
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl 3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461302
phenyl 3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461708
2-methoxyethyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137460911
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
N-[1-butanoyl-2-[(3-phenylphenyl)methyl]piperidin-3-yl]methanesulfonamide
CID 147041468
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
3-(methanesulfonamido)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]piperidine-1-carboxamide
CID 137461539
methyl (2R,3R)-3-(methanesulfonamido)-2-[(3-pyridin-4-ylphenyl)methyl]piperidine-1-carboxylate
CID 137461805
methyl 3-(methanesulfonamido)-2-[[3-(3-methylphenyl)phenyl]methyl]piperidine-1-carboxylate
CID 137461118
N-[(2S,3S)-1-(2,2-difluoroacetyl)-2-[(3-phenylphenyl)methyl]piperidin-3-yl]methanesulfonamide
CID 137462211

Frequently Asked Questions

What is the IUPAC name of cyclohexyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate?
The IUPAC name of cyclohexyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate (CID 137460644) is cyclohexyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for cyclohexyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate?
The canonical SMILES for cyclohexyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate is CS(=O)(=O)N[C@@H]1CCCN(C(=O)OC2CCCCC2)[C@@H]1Cc1cccc(-c2ccccc2)c1.
What is the InChIKey of cyclohexyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate?
The InChIKey is GTRVBVDCTIHXOV-JWQCQUIFSA-N. The full InChI is InChI=1S/C26H34N2O4S/c1-33(30,31)27-24-16-9-17-28(26(29)32-23-14-6-3-7-15-23)25(24)19-20-10-8-13-22(18-20)21-11-4-2-5-12-21/h2,4-5,8,10-13,18,23-25,27H,3,6-7,9,14-17,19H2,1H3/t24-,25-/m1/s1.
What are the key properties of cyclohexyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate?
cyclohexyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate has a molecular weight of 470.64 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 137460644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).