2-[(6R)-6-phenacylpiperidin-2-yl]-1-phenylethanone

C21H23NO2 — CID 59710006

IUPAC2-[(6R)-6-phenacylpiperidin-2-yl]-1-phenylethanone
SMILESO=C(CC1CCC[C@H](CC(=O)c2ccccc2)N1)c1ccccc1
InChIInChI=1S/C21H23NO2/c23-20(16-8-3-1-4-9-16)14-18-12-7-13-19(22-18)15-21(24)17-10-5-2-6-11-17/h1-6,8-11,18-19,22H,7,12-15H2/t18-,19?/m1/s1
InChIKeyOMAMGHBETNHQJC-MRTLOADZSA-N
MW321.42 g/mol
LogP4.04
Rot. Bonds6

About 2-[(6R)-6-phenacylpiperidin-2-yl]-1-phenylethanone

2-[(6R)-6-phenacylpiperidin-2-yl]-1-phenylethanone (PubChem CID 59710006) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[(6R)-6-phenacylpiperidin-2-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[(6R)-6-phenacylpiperidin-2-yl]-1-phenylethanone
PubChem CID59710006
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name2-[(6R)-6-phenacylpiperidin-2-yl]-1-phenylethanone
SMILESO=C(CC1CCC[C@H](CC(=O)c2ccccc2)N1)c1ccccc1
InChIInChI=1S/C21H23NO2/c23-20(16-8-3-1-4-9-16)14-18-12-7-13-19(22-18)15-21(24)17-10-5-2-6-11-17/h1-6,8-11,18-19,22H,7,12-15H2/t18-,19?/m1/s1
InChIKeyOMAMGHBETNHQJC-MRTLOADZSA-N
XLogP4.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2-pyrrolidin-2-ylethanone
CID 14176779
2-cyclopentyl-1-phenylethanone;hydrochloride
CID 174593040
2-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]-1-phenylethanone
CID 10921866
1-(3-bromophenyl)-2-(6-methylpiperidin-2-yl)ethanone
CID 116685102
2-[(1R)-2-chlorocyclopentyl]-1-phenylethanone
CID 135029704
2-[(1R,2S)-2-benzoylcyclohexyl]-1-phenylethanone
CID 15890035
2-[(1S,2R)-2-benzoylcyclohexyl]-1-phenylethanone
CID 11289756
2-(3-ethylcyclohexyl)-1-phenylethanone
CID 79428507
3-phenacylcyclohexane-1-carboxylic acid
CID 53436258
2-[(3R)-morpholin-3-yl]-1-phenylethanone
CID 95396636
2-morpholin-3-yl-1-phenylethanone
CID 14753828
1-phenyl-2-(6-phenyloxan-2-yl)ethanone
CID 102133371

Frequently Asked Questions

What is the IUPAC name of 2-[(6R)-6-phenacylpiperidin-2-yl]-1-phenylethanone?
The IUPAC name of 2-[(6R)-6-phenacylpiperidin-2-yl]-1-phenylethanone (CID 59710006) is 2-[(6R)-6-phenacylpiperidin-2-yl]-1-phenylethanone.
What is the SMILES notation for 2-[(6R)-6-phenacylpiperidin-2-yl]-1-phenylethanone?
The canonical SMILES for 2-[(6R)-6-phenacylpiperidin-2-yl]-1-phenylethanone is O=C(CC1CCC[C@H](CC(=O)c2ccccc2)N1)c1ccccc1.
What is the InChIKey of 2-[(6R)-6-phenacylpiperidin-2-yl]-1-phenylethanone?
The InChIKey is OMAMGHBETNHQJC-MRTLOADZSA-N. The full InChI is InChI=1S/C21H23NO2/c23-20(16-8-3-1-4-9-16)14-18-12-7-13-19(22-18)15-21(24)17-10-5-2-6-11-17/h1-6,8-11,18-19,22H,7,12-15H2/t18-,19?/m1/s1.
What are the key properties of 2-[(6R)-6-phenacylpiperidin-2-yl]-1-phenylethanone?
2-[(6R)-6-phenacylpiperidin-2-yl]-1-phenylethanone has a molecular weight of 321.42 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6R)-6-phenacylpiperidin-2-yl]-1-phenylethanone is sourced from PubChem (CID 59710006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).