(3R)-3-phenyl-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one

C18H22N2OS — CID 95770134

IUPAC(3R)-3-phenyl-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
SMILESC[C@H](CC(=O)N1CCCC[C@H]1c1nccs1)c1ccccc1
InChIInChI=1S/C18H22N2OS/c1-14(15-7-3-2-4-8-15)13-17(21)20-11-6-5-9-16(20)18-19-10-12-22-18/h2-4,7-8,10,12,14,16H,5-6,9,11,13H2,1H3/t14-,16+/m1/s1
InChIKeyAZRHEDBYFSMDCY-ZBFHGGJFSA-N
MW314.45 g/mol
LogP4.39
Rot. Bonds4

About (3R)-3-phenyl-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one

(3R)-3-phenyl-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one (PubChem CID 95770134) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is (3R)-3-phenyl-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name(3R)-3-phenyl-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
PubChem CID95770134
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name(3R)-3-phenyl-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
SMILESC[C@H](CC(=O)N1CCCC[C@H]1c1nccs1)c1ccccc1
InChIInChI=1S/C18H22N2OS/c1-14(15-7-3-2-4-8-15)13-17(21)20-11-6-5-9-16(20)18-19-10-12-22-18/h2-4,7-8,10,12,14,16H,5-6,9,11,13H2,1H3/t14-,16+/m1/s1
InChIKeyAZRHEDBYFSMDCY-ZBFHGGJFSA-N
XLogP4.39
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-propan-2-ylpiperidin-4-yl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 97200306
(2S)-2-(3-methylphenyl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95774334
2-(4-methylphenyl)-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95761217
2-(3-propan-2-yloxyphenyl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95770097
N-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-yl]acetamide
CID 95770213
2-(4-phenylpiperidin-1-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 97190916
2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691
3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 72915818
N-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]thiophene-2-sulfonamide
CID 91836688
2-(4-pyrimidin-2-ylpiperazin-1-yl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 97191446
methyl 4-oxo-4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanoate
CID 110750323
2-quinazolin-4-yloxy-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 91782874

Frequently Asked Questions

What is the IUPAC name of (3R)-3-phenyl-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of (3R)-3-phenyl-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one (CID 95770134) is (3R)-3-phenyl-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for (3R)-3-phenyl-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for (3R)-3-phenyl-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one is C[C@H](CC(=O)N1CCCC[C@H]1c1nccs1)c1ccccc1.
What is the InChIKey of (3R)-3-phenyl-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one?
The InChIKey is AZRHEDBYFSMDCY-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-14(15-7-3-2-4-8-15)13-17(21)20-11-6-5-9-16(20)18-19-10-12-22-18/h2-4,7-8,10,12,14,16H,5-6,9,11,13H2,1H3/t14-,16+/m1/s1.
What are the key properties of (3R)-3-phenyl-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one?
(3R)-3-phenyl-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one has a molecular weight of 314.45 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-phenyl-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 95770134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).