[(2R,3S,6R)-1-acetyl-3,5-dimethyl-2,6-diphenyl-3,6-dihydro-2H-pyridin-4-yl] acetate

C23H25NO3 — CID 7368645

IUPAC[(2R,3S,6R)-1-acetyl-3,5-dimethyl-2,6-diphenyl-3,6-dihydro-2H-pyridin-4-yl] acetate
SMILESCC(=O)OC1=C(C)[C@@H](c2ccccc2)N(C(C)=O)[C@@H](c2ccccc2)[C@@H]1C
InChIInChI=1S/C23H25NO3/c1-15-21(19-11-7-5-8-12-19)24(17(3)25)22(20-13-9-6-10-14-20)16(2)23(15)27-18(4)26/h5-15,21-22H,1-4H3/t15-,21+,22-/m0/s1
InChIKeyZWGFKDQMUUUAAT-ARBPTSGCSA-N
MW363.46 g/mol
LogP4.80
Rot. Bonds3

About [(2R,3S,6R)-1-acetyl-3,5-dimethyl-2,6-diphenyl-3,6-dihydro-2H-pyridin-4-yl] acetate

[(2R,3S,6R)-1-acetyl-3,5-dimethyl-2,6-diphenyl-3,6-dihydro-2H-pyridin-4-yl] acetate (PubChem CID 7368645) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is [(2R,3S,6R)-1-acetyl-3,5-dimethyl-2,6-diphenyl-3,6-dihydro-2H-pyridin-4-yl] acetate.

Molecular Properties

Compound Name[(2R,3S,6R)-1-acetyl-3,5-dimethyl-2,6-diphenyl-3,6-dihydro-2H-pyridin-4-yl] acetate
PubChem CID7368645
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name[(2R,3S,6R)-1-acetyl-3,5-dimethyl-2,6-diphenyl-3,6-dihydro-2H-pyridin-4-yl] acetate
SMILESCC(=O)OC1=C(C)[C@@H](c2ccccc2)N(C(C)=O)[C@@H](c2ccccc2)[C@@H]1C
InChIInChI=1S/C23H25NO3/c1-15-21(19-11-7-5-8-12-19)24(17(3)25)22(20-13-9-6-10-14-20)16(2)23(15)27-18(4)26/h5-15,21-22H,1-4H3/t15-,21+,22-/m0/s1
InChIKeyZWGFKDQMUUUAAT-ARBPTSGCSA-N
XLogP4.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2R,3S,6R)-1-acetyl-3,5-dimethyl-2,6-diphenyl-3,6-dihydro-2H-pyridin-4-yl] acetate with MolForge

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Related Compounds

[(2S,3R,6R)-1-acetyl-3,5-dimethyl-2,6-diphenyl-3,6-dihydro-2H-pyridin-4-yl] acetate
CID 7368646
ethyl (2S,3R,5R,6R)-3,5-dimethyl-4-oxo-2,6-diphenylpiperidine-1-carboxylate
CID 102317060
1-(2-chloroacetyl)-3,5-dimethyl-2,6-diphenylpiperidin-4-one
CID 16737018
tert-butyl 3-methyl-2-oxo-4-phenylazetidine-1-carboxylate
CID 21299736
(1-acetyl-2,3,6-triphenylpiperidin-4-yl) acetate
CID 539205
1-(2,4,5-triphenyl-2,4-dihydroimidazol-3-yl)ethanone
CID 54400884
3,5-diacetyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-one
CID 21306638
(2R,3S,6S)-1-acetyl-2,3,6-triphenylpiperidin-4-one
CID 11894627
1-[(2S,3R)-2,3-diphenylaziridin-1-yl]-2,2-dimethylpropan-1-one
CID 14925845
5-acetyl-9-methyl-6-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
CID 2981664
[(2S,3R)-2-methyl-3-phenylaziridin-1-yl]-phenylmethanone
CID 12739484
(1,1,1-trichloro-2-methylpropan-2-yl) (2R,3R)-2,3-diphenylaziridine-1-carboxylate
CID 10916338

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,6R)-1-acetyl-3,5-dimethyl-2,6-diphenyl-3,6-dihydro-2H-pyridin-4-yl] acetate?
The IUPAC name of [(2R,3S,6R)-1-acetyl-3,5-dimethyl-2,6-diphenyl-3,6-dihydro-2H-pyridin-4-yl] acetate (CID 7368645) is [(2R,3S,6R)-1-acetyl-3,5-dimethyl-2,6-diphenyl-3,6-dihydro-2H-pyridin-4-yl] acetate.
What is the SMILES notation for [(2R,3S,6R)-1-acetyl-3,5-dimethyl-2,6-diphenyl-3,6-dihydro-2H-pyridin-4-yl] acetate?
The canonical SMILES for [(2R,3S,6R)-1-acetyl-3,5-dimethyl-2,6-diphenyl-3,6-dihydro-2H-pyridin-4-yl] acetate is CC(=O)OC1=C(C)[C@@H](c2ccccc2)N(C(C)=O)[C@@H](c2ccccc2)[C@@H]1C.
What is the InChIKey of [(2R,3S,6R)-1-acetyl-3,5-dimethyl-2,6-diphenyl-3,6-dihydro-2H-pyridin-4-yl] acetate?
The InChIKey is ZWGFKDQMUUUAAT-ARBPTSGCSA-N. The full InChI is InChI=1S/C23H25NO3/c1-15-21(19-11-7-5-8-12-19)24(17(3)25)22(20-13-9-6-10-14-20)16(2)23(15)27-18(4)26/h5-15,21-22H,1-4H3/t15-,21+,22-/m0/s1.
What are the key properties of [(2R,3S,6R)-1-acetyl-3,5-dimethyl-2,6-diphenyl-3,6-dihydro-2H-pyridin-4-yl] acetate?
[(2R,3S,6R)-1-acetyl-3,5-dimethyl-2,6-diphenyl-3,6-dihydro-2H-pyridin-4-yl] acetate has a molecular weight of 363.46 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,6R)-1-acetyl-3,5-dimethyl-2,6-diphenyl-3,6-dihydro-2H-pyridin-4-yl] acetate is sourced from PubChem (CID 7368645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).