2-(3-propan-2-yloxyphenyl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone

C19H24N2O2S — CID 95770097

IUPAC2-(3-propan-2-yloxyphenyl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESCC(C)Oc1cccc(CC(=O)N2CCCC[C@@H]2c2nccs2)c1
InChIInChI=1S/C19H24N2O2S/c1-14(2)23-16-7-5-6-15(12-16)13-18(22)21-10-4-3-8-17(21)19-20-9-11-24-19/h5-7,9,11-12,14,17H,3-4,8,10,13H2,1-2H3/t17-/m1/s1
InChIKeyYALZKQKOQOPQEH-QGZVFWFLSA-N
MW344.48 g/mol
LogP4.23
Rot. Bonds5

About 2-(3-propan-2-yloxyphenyl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone

2-(3-propan-2-yloxyphenyl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 95770097) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-(3-propan-2-yloxyphenyl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-propan-2-yloxyphenyl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
PubChem CID95770097
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name2-(3-propan-2-yloxyphenyl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESCC(C)Oc1cccc(CC(=O)N2CCCC[C@@H]2c2nccs2)c1
InChIInChI=1S/C19H24N2O2S/c1-14(2)23-16-7-5-6-15(12-16)13-18(22)21-10-4-3-8-17(21)19-20-9-11-24-19/h5-7,9,11-12,14,17H,3-4,8,10,13H2,1-2H3/t17-/m1/s1
InChIKeyYALZKQKOQOPQEH-QGZVFWFLSA-N
XLogP4.23
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenyl)-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 110750388
2-(4-methylphenyl)-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95761217
(3R)-3-phenyl-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 95770134
3-(1,3-benzodioxol-5-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95761205
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-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 91840506
methyl 4-oxo-4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanoate
CID 110750323
N-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-yl]acetamide
CID 95770213
1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(3-propoxyphenyl)ethanone
CID 126770521
2-(3-methoxyphenyl)-1-[(2R)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 125022669
3-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137086651

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-yloxyphenyl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-propan-2-yloxyphenyl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone (CID 95770097) is 2-(3-propan-2-yloxyphenyl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-propan-2-yloxyphenyl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-propan-2-yloxyphenyl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone is CC(C)Oc1cccc(CC(=O)N2CCCC[C@@H]2c2nccs2)c1.
What is the InChIKey of 2-(3-propan-2-yloxyphenyl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is YALZKQKOQOPQEH-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-14(2)23-16-7-5-6-15(12-16)13-18(22)21-10-4-3-8-17(21)19-20-9-11-24-19/h5-7,9,11-12,14,17H,3-4,8,10,13H2,1-2H3/t17-/m1/s1.
What are the key properties of 2-(3-propan-2-yloxyphenyl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
2-(3-propan-2-yloxyphenyl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 344.48 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-yloxyphenyl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95770097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).