(2R)-2-prop-2-enoxy-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one

C14H20N2O2S — CID 95761185

IUPAC(2R)-2-prop-2-enoxy-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESC=CCO[C@H](C)C(=O)N1CCCC[C@H]1c1nccs1
InChIInChI=1S/C14H20N2O2S/c1-3-9-18-11(2)14(17)16-8-5-4-6-12(16)13-15-7-10-19-13/h3,7,10-12H,1,4-6,8-9H2,2H3/t11-,12+/m1/s1
InChIKeyXYBJBDJCOSOAKN-NEPJUHHUSA-N
MW280.39 g/mol
LogP2.79
Rot. Bonds5

About (2R)-2-prop-2-enoxy-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one

(2R)-2-prop-2-enoxy-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 95761185) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is (2R)-2-prop-2-enoxy-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-prop-2-enoxy-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
PubChem CID95761185
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name(2R)-2-prop-2-enoxy-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESC=CCO[C@H](C)C(=O)N1CCCC[C@H]1c1nccs1
InChIInChI=1S/C14H20N2O2S/c1-3-9-18-11(2)14(17)16-8-5-4-6-12(16)13-15-7-10-19-13/h3,7,10-12H,1,4-6,8-9H2,2H3/t11-,12+/m1/s1
InChIKeyXYBJBDJCOSOAKN-NEPJUHHUSA-N
XLogP2.79
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R)-2-prop-2-enoxy-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

N-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-yl]acetamide
CID 95770213
2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691
(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95774325
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
(4S)-1-propan-2-yl-4-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95770198
(3R)-3-phenyl-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 95770134
cyclohexyl 2-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate
CID 58171477
2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazole
CID 67986575
(2R)-N-(2-propan-2-ylsulfanylethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 125143068
methyl 4-oxo-4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanoate
CID 110750323
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 70746719

Frequently Asked Questions

What is the IUPAC name of (2R)-2-prop-2-enoxy-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-prop-2-enoxy-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (CID 95761185) is (2R)-2-prop-2-enoxy-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-prop-2-enoxy-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-prop-2-enoxy-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is C=CCO[C@H](C)C(=O)N1CCCC[C@H]1c1nccs1.
What is the InChIKey of (2R)-2-prop-2-enoxy-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is XYBJBDJCOSOAKN-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-3-9-18-11(2)14(17)16-8-5-4-6-12(16)13-15-7-10-19-13/h3,7,10-12H,1,4-6,8-9H2,2H3/t11-,12+/m1/s1.
What are the key properties of (2R)-2-prop-2-enoxy-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
(2R)-2-prop-2-enoxy-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 280.39 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-prop-2-enoxy-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95761185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).