3-[(5R)-5-fluoro-1-(2-phenylbenzoyl)piperidin-2-yl]-1-quinolin-8-ylpropan-1-one

C30H27FN2O2 — CID 159495225

IUPAC3-[(5R)-5-fluoro-1-(2-phenylbenzoyl)piperidin-2-yl]-1-quinolin-8-ylpropan-1-one
SMILESO=C(CCC1CC[C@@H](F)CN1C(=O)c1ccccc1-c1ccccc1)c1cccc2cccnc12
InChIInChI=1S/C30H27FN2O2/c31-23-15-16-24(17-18-28(34)27-14-6-10-22-11-7-19-32-29(22)27)33(20-23)30(35)26-13-5-4-12-25(26)21-8-2-1-3-9-21/h1-14,19,23-24H,15-18,20H2/t23-,24?/m1/s1
InChIKeyLYRSVSVSDOJPLM-MIHMCVIASA-N
MW466.56 g/mol
LogP6.51
Rot. Bonds6

About 3-[(5R)-5-fluoro-1-(2-phenylbenzoyl)piperidin-2-yl]-1-quinolin-8-ylpropan-1-one

3-[(5R)-5-fluoro-1-(2-phenylbenzoyl)piperidin-2-yl]-1-quinolin-8-ylpropan-1-one (PubChem CID 159495225) has the molecular formula C30H27FN2O2 and a molecular weight of 466.56 g/mol. Its IUPAC name is 3-[(5R)-5-fluoro-1-(2-phenylbenzoyl)piperidin-2-yl]-1-quinolin-8-ylpropan-1-one.

Molecular Properties

Compound Name3-[(5R)-5-fluoro-1-(2-phenylbenzoyl)piperidin-2-yl]-1-quinolin-8-ylpropan-1-one
PubChem CID159495225
Molecular FormulaC30H27FN2O2
Molecular Weight466.56 g/mol
Exact Mass466.21
IUPAC Name3-[(5R)-5-fluoro-1-(2-phenylbenzoyl)piperidin-2-yl]-1-quinolin-8-ylpropan-1-one
SMILESO=C(CCC1CC[C@@H](F)CN1C(=O)c1ccccc1-c1ccccc1)c1cccc2cccnc12
InChIInChI=1S/C30H27FN2O2/c31-23-15-16-24(17-18-28(34)27-14-6-10-22-11-7-19-32-29(22)27)33(20-23)30(35)26-13-5-4-12-25(26)21-8-2-1-3-9-21/h1-14,19,23-24H,15-18,20H2/t23-,24?/m1/s1
InChIKeyLYRSVSVSDOJPLM-MIHMCVIASA-N
XLogP6.51
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.56
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(5R)-5-fluoro-1-(2-phenylbenzoyl)piperidin-2-yl]-1-quinolin-8-ylpropan-1-one with MolForge

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Related Compounds

3-[5-fluoro-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]-1-quinolin-8-ylpropan-1-one
CID 147300064
(5R)-5-(3-oxo-3-quinolin-8-ylpropyl)-1-(2-phenylbenzoyl)pyrrolidin-3-one
CID 147245093
N-[[(2S,4S)-4-fluoro-1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
CID 70692194
N-[[(2S)-5-(2-hydroxyethylamino)-1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
CID 70692195
N-[[4-oxo-1-(2-phenylbenzoyl)pyrrolidin-2-yl]methyl]quinoline-8-carboxamide
CID 78156933
3-[1-(6-fluoroquinoline-8-carbonyl)piperidin-2-yl]propanoic acid
CID 120536757
4-phenyl-1-quinolin-8-ylbutan-1-one
CID 105093201
2-phenyl-1-quinolin-8-ylethanone
CID 10999362
4-hydroxy-1-(quinoline-8-carbonyl)pyrrolidine-2-carboxylic acid
CID 43356945
[2-(chloromethyl)azepan-1-yl]-quinolin-8-ylmethanone
CID 116639082
[2-(bromomethyl)azepan-1-yl]-quinolin-8-ylmethanone
CID 116639426
[2-(2-phenoxyethyl)azepan-1-yl]-(2-phenylphenyl)methanone
CID 10179058

Frequently Asked Questions

What is the IUPAC name of 3-[(5R)-5-fluoro-1-(2-phenylbenzoyl)piperidin-2-yl]-1-quinolin-8-ylpropan-1-one?
The IUPAC name of 3-[(5R)-5-fluoro-1-(2-phenylbenzoyl)piperidin-2-yl]-1-quinolin-8-ylpropan-1-one (CID 159495225) is 3-[(5R)-5-fluoro-1-(2-phenylbenzoyl)piperidin-2-yl]-1-quinolin-8-ylpropan-1-one.
What is the SMILES notation for 3-[(5R)-5-fluoro-1-(2-phenylbenzoyl)piperidin-2-yl]-1-quinolin-8-ylpropan-1-one?
The canonical SMILES for 3-[(5R)-5-fluoro-1-(2-phenylbenzoyl)piperidin-2-yl]-1-quinolin-8-ylpropan-1-one is O=C(CCC1CC[C@@H](F)CN1C(=O)c1ccccc1-c1ccccc1)c1cccc2cccnc12.
What is the InChIKey of 3-[(5R)-5-fluoro-1-(2-phenylbenzoyl)piperidin-2-yl]-1-quinolin-8-ylpropan-1-one?
The InChIKey is LYRSVSVSDOJPLM-MIHMCVIASA-N. The full InChI is InChI=1S/C30H27FN2O2/c31-23-15-16-24(17-18-28(34)27-14-6-10-22-11-7-19-32-29(22)27)33(20-23)30(35)26-13-5-4-12-25(26)21-8-2-1-3-9-21/h1-14,19,23-24H,15-18,20H2/t23-,24?/m1/s1.
What are the key properties of 3-[(5R)-5-fluoro-1-(2-phenylbenzoyl)piperidin-2-yl]-1-quinolin-8-ylpropan-1-one?
3-[(5R)-5-fluoro-1-(2-phenylbenzoyl)piperidin-2-yl]-1-quinolin-8-ylpropan-1-one has a molecular weight of 466.56 g/mol, XLogP of 6.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5R)-5-fluoro-1-(2-phenylbenzoyl)piperidin-2-yl]-1-quinolin-8-ylpropan-1-one is sourced from PubChem (CID 159495225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).