(1-methylpiperidin-4-yl) 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate

C23H25FN2O3S — CID 130385893

IUPAC(1-methylpiperidin-4-yl) 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate
SMILESCc1cc(C(=O)OC2CCN(C)CC2)ccc1N1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C23H25FN2O3S/c1-15-13-17(23(28)29-19-9-11-25(2)12-10-19)5-8-20(15)26-21(27)14-30-22(26)16-3-6-18(24)7-4-16/h3-8,13,19,22H,9-12,14H2,1-2H3
InChIKeyVYKDZMGVARDICG-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.16
Rot. Bonds4

About (1-methylpiperidin-4-yl) 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate

(1-methylpiperidin-4-yl) 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate (PubChem CID 130385893) has the molecular formula C23H25FN2O3S and a molecular weight of 428.53 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate
PubChem CID130385893
Molecular FormulaC23H25FN2O3S
Molecular Weight428.53 g/mol
Exact Mass428.16
IUPAC Name(1-methylpiperidin-4-yl) 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate
SMILESCc1cc(C(=O)OC2CCN(C)CC2)ccc1N1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C23H25FN2O3S/c1-15-13-17(23(28)29-19-9-11-25(2)12-10-19)5-8-20(15)26-21(27)14-30-22(26)16-3-6-18(24)7-4-16/h3-8,13,19,22H,9-12,14H2,1-2H3
InChIKeyVYKDZMGVARDICG-UHFFFAOYSA-N
XLogP4.16
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate?
The IUPAC name of (1-methylpiperidin-4-yl) 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate (CID 130385893) is (1-methylpiperidin-4-yl) 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate.
What is the SMILES notation for (1-methylpiperidin-4-yl) 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate?
The canonical SMILES for (1-methylpiperidin-4-yl) 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate is Cc1cc(C(=O)OC2CCN(C)CC2)ccc1N1C(=O)CSC1c1ccc(F)cc1.
What is the InChIKey of (1-methylpiperidin-4-yl) 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate?
The InChIKey is VYKDZMGVARDICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3S/c1-15-13-17(23(28)29-19-9-11-25(2)12-10-19)5-8-20(15)26-21(27)14-30-22(26)16-3-6-18(24)7-4-16/h3-8,13,19,22H,9-12,14H2,1-2H3.
What are the key properties of (1-methylpiperidin-4-yl) 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate?
(1-methylpiperidin-4-yl) 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate has a molecular weight of 428.53 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate is sourced from PubChem (CID 130385893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).