2-(4-chlorophenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-1,3-thiazolidin-4-one

C23H27ClN2O2S — CID 3075458

IUPAC2-(4-chlorophenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Cl)cc2)N1CCCN1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C23H27ClN2O2S/c24-20-9-7-18(8-10-20)22-26(21(27)17-29-22)14-4-13-25-15-11-23(28,12-16-25)19-5-2-1-3-6-19/h1-3,5-10,22,28H,4,11-17H2
InChIKeyRCCWIMACWPMJIP-UHFFFAOYSA-N
MW431.00 g/mol
LogP4.29
Rot. Bonds6

About 2-(4-chlorophenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-1,3-thiazolidin-4-one

2-(4-chlorophenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-1,3-thiazolidin-4-one (PubChem CID 3075458) has the molecular formula C23H27ClN2O2S and a molecular weight of 431.00 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-1,3-thiazolidin-4-one
PubChem CID3075458
Molecular FormulaC23H27ClN2O2S
Molecular Weight431.00 g/mol
Exact Mass430.15
IUPAC Name2-(4-chlorophenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Cl)cc2)N1CCCN1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C23H27ClN2O2S/c24-20-9-7-18(8-10-20)22-26(21(27)17-29-22)14-4-13-25-15-11-23(28,12-16-25)19-5-2-1-3-6-19/h1-3,5-10,22,28H,4,11-17H2
InChIKeyRCCWIMACWPMJIP-UHFFFAOYSA-N
XLogP4.29
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.00
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-1,3-thiazolidin-4-one (CID 3075458) is 2-(4-chlorophenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(Cl)cc2)N1CCCN1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-1,3-thiazolidin-4-one?
The InChIKey is RCCWIMACWPMJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O2S/c24-20-9-7-18(8-10-20)22-26(21(27)17-29-22)14-4-13-25-15-11-23(28,12-16-25)19-5-2-1-3-6-19/h1-3,5-10,22,28H,4,11-17H2.
What are the key properties of 2-(4-chlorophenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-1,3-thiazolidin-4-one?
2-(4-chlorophenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-1,3-thiazolidin-4-one has a molecular weight of 431.00 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3075458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).