3-hydroxy-1-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylbutan-1-one

C19H24N2O2S — CID 110025197

IUPAC3-hydroxy-1-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylbutan-1-one
SMILESCc1csc(C2CCN(C(=O)CC(C)(O)c3ccccc3)CC2)n1
InChIInChI=1S/C19H24N2O2S/c1-14-13-24-18(20-14)15-8-10-21(11-9-15)17(22)12-19(2,23)16-6-4-3-5-7-16/h3-7,13,15,23H,8-12H2,1-2H3
InChIKeyVEFROXXCXUMXLF-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.46
Rot. Bonds4

About 3-hydroxy-1-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylbutan-1-one

3-hydroxy-1-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylbutan-1-one (PubChem CID 110025197) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 3-hydroxy-1-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylbutan-1-one.

Molecular Properties

Compound Name3-hydroxy-1-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylbutan-1-one
PubChem CID110025197
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name3-hydroxy-1-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylbutan-1-one
SMILESCc1csc(C2CCN(C(=O)CC(C)(O)c3ccccc3)CC2)n1
InChIInChI=1S/C19H24N2O2S/c1-14-13-24-18(20-14)15-8-10-21(11-9-15)17(22)12-19(2,23)16-6-4-3-5-7-16/h3-7,13,15,23H,8-12H2,1-2H3
InChIKeyVEFROXXCXUMXLF-UHFFFAOYSA-N
XLogP3.46
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-3-phenyl-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 110024551
[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 56823628
(3R)-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 95139906
3-methyl-3-phenyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 110308176
2-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid
CID 126833573
ethyl (3R)-3-hydroxy-4-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-4-oxobutanoate
CID 124847429
5-[4-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1-phenylpyrazole-3-carboxylic acid
CID 119183904
3-hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one
CID 10620542
4,4,4-trifluoro-3-hydroxy-1-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)butan-1-one
CID 47842685
1-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-hydroxy-3-phenylbutan-1-one
CID 110025380
1-(3-benzylpyrrolidin-1-yl)-3-hydroxy-3-phenylbutan-1-one
CID 110025511
(2S)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]butanoic acid
CID 124623176

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylbutan-1-one?
The IUPAC name of 3-hydroxy-1-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylbutan-1-one (CID 110025197) is 3-hydroxy-1-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylbutan-1-one.
What is the SMILES notation for 3-hydroxy-1-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylbutan-1-one?
The canonical SMILES for 3-hydroxy-1-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylbutan-1-one is Cc1csc(C2CCN(C(=O)CC(C)(O)c3ccccc3)CC2)n1.
What is the InChIKey of 3-hydroxy-1-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylbutan-1-one?
The InChIKey is VEFROXXCXUMXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-14-13-24-18(20-14)15-8-10-21(11-9-15)17(22)12-19(2,23)16-6-4-3-5-7-16/h3-7,13,15,23H,8-12H2,1-2H3.
What are the key properties of 3-hydroxy-1-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylbutan-1-one?
3-hydroxy-1-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylbutan-1-one has a molecular weight of 344.48 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylbutan-1-one is sourced from PubChem (CID 110025197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).