(2R,3S,6S)-1-acetyl-2,3,6-triphenylpiperidin-4-one

C25H23NO2 — CID 11894627

IUPAC(2R,3S,6S)-1-acetyl-2,3,6-triphenylpiperidin-4-one
SMILESCC(=O)N1[C@H](c2ccccc2)CC(=O)[C@@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C25H23NO2/c1-18(27)26-22(19-11-5-2-6-12-19)17-23(28)24(20-13-7-3-8-14-20)25(26)21-15-9-4-10-16-21/h2-16,22,24-25H,17H2,1H3/t22-,24+,25-/m0/s1
InChIKeyBHCVEZXVFMWSNG-CAOCKLPOSA-N
MW369.46 g/mol
LogP5.07
Rot. Bonds3

About (2R,3S,6S)-1-acetyl-2,3,6-triphenylpiperidin-4-one

(2R,3S,6S)-1-acetyl-2,3,6-triphenylpiperidin-4-one (PubChem CID 11894627) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is (2R,3S,6S)-1-acetyl-2,3,6-triphenylpiperidin-4-one.

Molecular Properties

Compound Name(2R,3S,6S)-1-acetyl-2,3,6-triphenylpiperidin-4-one
PubChem CID11894627
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name(2R,3S,6S)-1-acetyl-2,3,6-triphenylpiperidin-4-one
SMILESCC(=O)N1[C@H](c2ccccc2)CC(=O)[C@@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C25H23NO2/c1-18(27)26-22(19-11-5-2-6-12-19)17-23(28)24(20-13-7-3-8-14-20)25(26)21-15-9-4-10-16-21/h2-16,22,24-25H,17H2,1H3/t22-,24+,25-/m0/s1
InChIKeyBHCVEZXVFMWSNG-CAOCKLPOSA-N
XLogP5.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-one
CID 11909630
N-[(2R,3R,6S)-1-methyl-4-oxo-2,6-diphenylpiperidin-3-yl]acetamide
CID 95907396
2,6-bis(4-chlorophenyl)-1-nitroso-3-phenylpiperidin-4-one
CID 56683426
(2S,6S)-1-acetyl-3,3-dimethyl-2,6-diphenylpiperidin-4-one
CID 139076949
(2S,3R,6R)-1-(2,2-dichloroacetyl)-3-ethyl-2,6-diphenylpiperidin-4-one
CID 139085589
(1-acetyl-2,3,6-triphenylpiperidin-4-yl) acetate
CID 539205
3-methyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one
CID 25270970
1-(4,5-dimethyl-2-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 71394500
1-chloro-3-methyl-2,6-diphenylpiperidin-4-one
CID 13185093
(2S,4R)-3-acetyl-2-(1,3-benzodioxol-5-yl)-4-phenyl-1,3-oxazinan-6-one
CID 907479
(NZ)-N-[(2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-ylidene]hydroxylamine
CID 11894630
tert-butyl 2-dimethoxyphosphoryl-3-oxo-5-phenylpyrrolidine-1-carboxylate
CID 72962244

Frequently Asked Questions

What is the IUPAC name of (2R,3S,6S)-1-acetyl-2,3,6-triphenylpiperidin-4-one?
The IUPAC name of (2R,3S,6S)-1-acetyl-2,3,6-triphenylpiperidin-4-one (CID 11894627) is (2R,3S,6S)-1-acetyl-2,3,6-triphenylpiperidin-4-one.
What is the SMILES notation for (2R,3S,6S)-1-acetyl-2,3,6-triphenylpiperidin-4-one?
The canonical SMILES for (2R,3S,6S)-1-acetyl-2,3,6-triphenylpiperidin-4-one is CC(=O)N1[C@H](c2ccccc2)CC(=O)[C@@H](c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3S,6S)-1-acetyl-2,3,6-triphenylpiperidin-4-one?
The InChIKey is BHCVEZXVFMWSNG-CAOCKLPOSA-N. The full InChI is InChI=1S/C25H23NO2/c1-18(27)26-22(19-11-5-2-6-12-19)17-23(28)24(20-13-7-3-8-14-20)25(26)21-15-9-4-10-16-21/h2-16,22,24-25H,17H2,1H3/t22-,24+,25-/m0/s1.
What are the key properties of (2R,3S,6S)-1-acetyl-2,3,6-triphenylpiperidin-4-one?
(2R,3S,6S)-1-acetyl-2,3,6-triphenylpiperidin-4-one has a molecular weight of 369.46 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6S)-1-acetyl-2,3,6-triphenylpiperidin-4-one is sourced from PubChem (CID 11894627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).