2-phenyl-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one

C16H22N2OS — CID 3995232

IUPAC2-phenyl-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2)N1CCN1CCCCC1
InChIInChI=1S/C16H22N2OS/c19-15-13-20-16(14-7-3-1-4-8-14)18(15)12-11-17-9-5-2-6-10-17/h1,3-4,7-8,16H,2,5-6,9-13H2
InChIKeyDGFFZZLVGJPRCR-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.75
Rot. Bonds4

About 2-phenyl-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one

2-phenyl-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one (PubChem CID 3995232) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-phenyl-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-phenyl-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
PubChem CID3995232
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-phenyl-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2)N1CCN1CCCCC1
InChIInChI=1S/C16H22N2OS/c19-15-13-20-16(14-7-3-1-4-8-14)18(15)12-11-17-9-5-2-6-10-17/h1,3-4,7-8,16H,2,5-6,9-13H2
InChIKeyDGFFZZLVGJPRCR-UHFFFAOYSA-N
XLogP2.75
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3,4-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 1372058
2-(3,4-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one;hydrochloride
CID 2871934
2-(3-phenylmethoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 10271267
2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 23988752
3-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one
CID 23818738
2-(2-phenylethenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 91174309
2-(1-phenylethyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 3447825
(2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 742773
2-(4-hydroxy-3-methoxyphenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one;hydrochloride
CID 2881512
3-(2-ethoxyethyl)-2-phenyl-1,3-thiazolidin-4-one
CID 3863407
3-(3-methylsulfanylpropyl)-2-phenyl-1,3-thiazolidin-4-one
CID 3687079
2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetic acid
CID 10847476

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-phenyl-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one (CID 3995232) is 2-phenyl-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-phenyl-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-phenyl-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one is O=C1CSC(c2ccccc2)N1CCN1CCCCC1.
What is the InChIKey of 2-phenyl-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one?
The InChIKey is DGFFZZLVGJPRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c19-15-13-20-16(14-7-3-1-4-8-14)18(15)12-11-17-9-5-2-6-10-17/h1,3-4,7-8,16H,2,5-6,9-13H2.
What are the key properties of 2-phenyl-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one?
2-phenyl-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one has a molecular weight of 290.43 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3995232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).