ethyl 6-[[4-[(4-fluorophenyl)-(1,3-thiazol-2-yl)methoxy]piperidin-1-yl]methyl]pyridine-2-carboxylate

C24H26FN3O3S — CID 89474896

IUPACethyl 6-[[4-[(4-fluorophenyl)-(1,3-thiazol-2-yl)methoxy]piperidin-1-yl]methyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(CN2CCC(OC(c3ccc(F)cc3)c3nccs3)CC2)n1
InChIInChI=1S/C24H26FN3O3S/c1-2-30-24(29)21-5-3-4-19(27-21)16-28-13-10-20(11-14-28)31-22(23-26-12-15-32-23)17-6-8-18(25)9-7-17/h3-9,12,15,20,22H,2,10-11,13-14,16H2,1H3
InChIKeyCGSUUEMJBFODBX-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.62
Rot. Bonds8

About ethyl 6-[[4-[(4-fluorophenyl)-(1,3-thiazol-2-yl)methoxy]piperidin-1-yl]methyl]pyridine-2-carboxylate

ethyl 6-[[4-[(4-fluorophenyl)-(1,3-thiazol-2-yl)methoxy]piperidin-1-yl]methyl]pyridine-2-carboxylate (PubChem CID 89474896) has the molecular formula C24H26FN3O3S and a molecular weight of 455.56 g/mol. Its IUPAC name is ethyl 6-[[4-[(4-fluorophenyl)-(1,3-thiazol-2-yl)methoxy]piperidin-1-yl]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[4-[(4-fluorophenyl)-(1,3-thiazol-2-yl)methoxy]piperidin-1-yl]methyl]pyridine-2-carboxylate
PubChem CID89474896
Molecular FormulaC24H26FN3O3S
Molecular Weight455.56 g/mol
Exact Mass455.17
IUPAC Nameethyl 6-[[4-[(4-fluorophenyl)-(1,3-thiazol-2-yl)methoxy]piperidin-1-yl]methyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(CN2CCC(OC(c3ccc(F)cc3)c3nccs3)CC2)n1
InChIInChI=1S/C24H26FN3O3S/c1-2-30-24(29)21-5-3-4-19(27-21)16-28-13-10-20(11-14-28)31-22(23-26-12-15-32-23)17-6-8-18(25)9-7-17/h3-9,12,15,20,22H,2,10-11,13-14,16H2,1H3
InChIKeyCGSUUEMJBFODBX-UHFFFAOYSA-N
XLogP4.62
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[4-[(4-fluorophenyl)-(1,3-thiazol-2-yl)methoxy]piperidin-1-yl]methyl]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[[4-[(4-fluorophenyl)-(1,3-thiazol-2-yl)methoxy]piperidin-1-yl]methyl]pyridine-2-carboxylate (CID 89474896) is ethyl 6-[[4-[(4-fluorophenyl)-(1,3-thiazol-2-yl)methoxy]piperidin-1-yl]methyl]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[[4-[(4-fluorophenyl)-(1,3-thiazol-2-yl)methoxy]piperidin-1-yl]methyl]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[[4-[(4-fluorophenyl)-(1,3-thiazol-2-yl)methoxy]piperidin-1-yl]methyl]pyridine-2-carboxylate is CCOC(=O)c1cccc(CN2CCC(OC(c3ccc(F)cc3)c3nccs3)CC2)n1.
What is the InChIKey of ethyl 6-[[4-[(4-fluorophenyl)-(1,3-thiazol-2-yl)methoxy]piperidin-1-yl]methyl]pyridine-2-carboxylate?
The InChIKey is CGSUUEMJBFODBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3S/c1-2-30-24(29)21-5-3-4-19(27-21)16-28-13-10-20(11-14-28)31-22(23-26-12-15-32-23)17-6-8-18(25)9-7-17/h3-9,12,15,20,22H,2,10-11,13-14,16H2,1H3.
What are the key properties of ethyl 6-[[4-[(4-fluorophenyl)-(1,3-thiazol-2-yl)methoxy]piperidin-1-yl]methyl]pyridine-2-carboxylate?
ethyl 6-[[4-[(4-fluorophenyl)-(1,3-thiazol-2-yl)methoxy]piperidin-1-yl]methyl]pyridine-2-carboxylate has a molecular weight of 455.56 g/mol, XLogP of 4.62, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[4-[(4-fluorophenyl)-(1,3-thiazol-2-yl)methoxy]piperidin-1-yl]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 89474896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).