(2R)-2-hydroxy-2-(4-methoxyphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone

C18H26N2O3S — CID 95388464

IUPAC(2R)-2-hydroxy-2-(4-methoxyphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone
SMILESCOc1ccc([C@@H](O)C(=O)N2CCC(N3CCSCC3)CC2)cc1
InChIInChI=1S/C18H26N2O3S/c1-23-16-4-2-14(3-5-16)17(21)18(22)20-8-6-15(7-9-20)19-10-12-24-13-11-19/h2-5,15,17,21H,6-13H2,1H3/t17-/m1/s1
InChIKeyXECXELMBSVDBOE-QGZVFWFLSA-N
MW350.48 g/mol
LogP1.77
Rot. Bonds4

About (2R)-2-hydroxy-2-(4-methoxyphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone

(2R)-2-hydroxy-2-(4-methoxyphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone (PubChem CID 95388464) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-(4-methoxyphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-(4-methoxyphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone
PubChem CID95388464
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name(2R)-2-hydroxy-2-(4-methoxyphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone
SMILESCOc1ccc([C@@H](O)C(=O)N2CCC(N3CCSCC3)CC2)cc1
InChIInChI=1S/C18H26N2O3S/c1-23-16-4-2-14(3-5-16)17(21)18(22)20-8-6-15(7-9-20)19-10-12-24-13-11-19/h2-5,15,17,21H,6-13H2,1H3/t17-/m1/s1
InChIKeyXECXELMBSVDBOE-QGZVFWFLSA-N
XLogP1.77
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 110879916
(2R)-2-(dimethylamino)-2-(2-methylphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone
CID 97192752
1-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-hydroxy-2-(4-methoxyphenyl)ethanone
CID 170508191
2-(4-methoxyphenyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120996072
1-(4-cyclopentylpiperazin-1-yl)-2-hydroxy-2-phenylethanone
CID 111432279
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone
CID 97206351
5-[4-[2-hydroxy-2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 91776530
N-[1-cyclopropyl-2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide
CID 85045795
(2R)-2-(4-methoxyphenoxy)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one
CID 95148539
(2,4-dimethylquinolin-7-yl)-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone
CID 77096580
(2R)-2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 6951708
1-hydroxy-1-(4-methoxyphenyl)propan-2-one
CID 10080999

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-(4-methoxyphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone?
The IUPAC name of (2R)-2-hydroxy-2-(4-methoxyphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone (CID 95388464) is (2R)-2-hydroxy-2-(4-methoxyphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for (2R)-2-hydroxy-2-(4-methoxyphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone?
The canonical SMILES for (2R)-2-hydroxy-2-(4-methoxyphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone is COc1ccc([C@@H](O)C(=O)N2CCC(N3CCSCC3)CC2)cc1.
What is the InChIKey of (2R)-2-hydroxy-2-(4-methoxyphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone?
The InChIKey is XECXELMBSVDBOE-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-23-16-4-2-14(3-5-16)17(21)18(22)20-8-6-15(7-9-20)19-10-12-24-13-11-19/h2-5,15,17,21H,6-13H2,1H3/t17-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-(4-methoxyphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone?
(2R)-2-hydroxy-2-(4-methoxyphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone has a molecular weight of 350.48 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-(4-methoxyphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 95388464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).