ethyl (2S,3R,5R,6R)-3,5-dimethyl-4-oxo-2,6-diphenylpiperidine-1-carboxylate

C22H25NO3 — CID 102317060

IUPACethyl (2S,3R,5R,6R)-3,5-dimethyl-4-oxo-2,6-diphenylpiperidine-1-carboxylate
SMILESCCOC(=O)N1[C@H](c2ccccc2)[C@@H](C)C(=O)[C@H](C)[C@@H]1c1ccccc1
InChIInChI=1S/C22H25NO3/c1-4-26-22(25)23-19(17-11-7-5-8-12-17)15(2)21(24)16(3)20(23)18-13-9-6-10-14-18/h5-16,19-20H,4H2,1-3H3/t15-,16-,19-,20+/m1/s1
InChIKeyXSNOQKDENUFKOQ-SMOSDQRPSA-N
MW351.45 g/mol
LogP4.78
Rot. Bonds3

About ethyl (2S,3R,5R,6R)-3,5-dimethyl-4-oxo-2,6-diphenylpiperidine-1-carboxylate

ethyl (2S,3R,5R,6R)-3,5-dimethyl-4-oxo-2,6-diphenylpiperidine-1-carboxylate (PubChem CID 102317060) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is ethyl (2S,3R,5R,6R)-3,5-dimethyl-4-oxo-2,6-diphenylpiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl (2S,3R,5R,6R)-3,5-dimethyl-4-oxo-2,6-diphenylpiperidine-1-carboxylate
PubChem CID102317060
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Nameethyl (2S,3R,5R,6R)-3,5-dimethyl-4-oxo-2,6-diphenylpiperidine-1-carboxylate
SMILESCCOC(=O)N1[C@H](c2ccccc2)[C@@H](C)C(=O)[C@H](C)[C@@H]1c1ccccc1
InChIInChI=1S/C22H25NO3/c1-4-26-22(25)23-19(17-11-7-5-8-12-17)15(2)21(24)16(3)20(23)18-13-9-6-10-14-18/h5-16,19-20H,4H2,1-3H3/t15-,16-,19-,20+/m1/s1
InChIKeyXSNOQKDENUFKOQ-SMOSDQRPSA-N
XLogP4.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl (2S,3R,5R,6R)-3,5-dimethyl-4-oxo-2,6-diphenylpiperidine-1-carboxylate with MolForge

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Related Compounds

1-(2-chloroacetyl)-3,5-dimethyl-2,6-diphenylpiperidin-4-one
CID 16737018
ethyl 3-methyl-2-phenylpyrrolidine-1-carboxylate
CID 165407566
ethyl (1S,5S,7R)-3-oxo-7-phenyl-2,6-diazabicyclo[3.2.2]nonane-6-carboxylate
CID 10613343
diethyl (3R)-3,6-diphenyl-3,6-dihydropyridazine-1,2-dicarboxylate
CID 2755637
ethyl (2R,3S)-1-benzyl-3-phenylaziridine-2-carboxylate
CID 12064962
ethyl (4S,5S)-1-benzyl-2-methyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate
CID 70999194
ethyl 5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate
CID 23270968
ethyl (2S,3R)-1-methyl-4,5-dioxo-2-phenylpyrrolidine-3-carboxylate
CID 6997580
ethyl (2R,3R)-3-bromo-4-oxo-2-phenyl-2,3-dihydroquinoline-1-carboxylate
CID 102120037
ethyl (3S,4R,5S)-3-(4-chlorophenyl)-1,2-dimethyl-5-phenylpyrazolidine-4-carboxylate
CID 11739857
ethyl 2-[(2R,4R)-2,3,4-triphenylazetidine-1-carbonyl]benzoate
CID 100925046
tert-butyl (2R,3R)-2,3-diphenylaziridine-1-carboxylate
CID 101106252

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3R,5R,6R)-3,5-dimethyl-4-oxo-2,6-diphenylpiperidine-1-carboxylate?
The IUPAC name of ethyl (2S,3R,5R,6R)-3,5-dimethyl-4-oxo-2,6-diphenylpiperidine-1-carboxylate (CID 102317060) is ethyl (2S,3R,5R,6R)-3,5-dimethyl-4-oxo-2,6-diphenylpiperidine-1-carboxylate.
What is the SMILES notation for ethyl (2S,3R,5R,6R)-3,5-dimethyl-4-oxo-2,6-diphenylpiperidine-1-carboxylate?
The canonical SMILES for ethyl (2S,3R,5R,6R)-3,5-dimethyl-4-oxo-2,6-diphenylpiperidine-1-carboxylate is CCOC(=O)N1[C@H](c2ccccc2)[C@@H](C)C(=O)[C@H](C)[C@@H]1c1ccccc1.
What is the InChIKey of ethyl (2S,3R,5R,6R)-3,5-dimethyl-4-oxo-2,6-diphenylpiperidine-1-carboxylate?
The InChIKey is XSNOQKDENUFKOQ-SMOSDQRPSA-N. The full InChI is InChI=1S/C22H25NO3/c1-4-26-22(25)23-19(17-11-7-5-8-12-17)15(2)21(24)16(3)20(23)18-13-9-6-10-14-18/h5-16,19-20H,4H2,1-3H3/t15-,16-,19-,20+/m1/s1.
What are the key properties of ethyl (2S,3R,5R,6R)-3,5-dimethyl-4-oxo-2,6-diphenylpiperidine-1-carboxylate?
ethyl (2S,3R,5R,6R)-3,5-dimethyl-4-oxo-2,6-diphenylpiperidine-1-carboxylate has a molecular weight of 351.45 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3R,5R,6R)-3,5-dimethyl-4-oxo-2,6-diphenylpiperidine-1-carboxylate is sourced from PubChem (CID 102317060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).