N-[2-(2-fluorophenyl)ethyl]-1-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidine-4-carboxamide

C25H26FN3O3S — CID 55782323

IUPACN-[2-(2-fluorophenyl)ethyl]-1-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1F)C1CCN(C(=O)c2cccc(OCc3cscn3)c2)CC1
InChIInChI=1S/C25H26FN3O3S/c26-23-7-2-1-4-18(23)8-11-27-24(30)19-9-12-29(13-10-19)25(31)20-5-3-6-22(14-20)32-15-21-16-33-17-28-21/h1-7,14,16-17,19H,8-13,15H2,(H,27,30)
InChIKeyNAOIHLPCXOLPNG-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.07
Rot. Bonds8

About N-[2-(2-fluorophenyl)ethyl]-1-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidine-4-carboxamide

N-[2-(2-fluorophenyl)ethyl]-1-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidine-4-carboxamide (PubChem CID 55782323) has the molecular formula C25H26FN3O3S and a molecular weight of 467.57 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-1-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-1-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidine-4-carboxamide
PubChem CID55782323
Molecular FormulaC25H26FN3O3S
Molecular Weight467.57 g/mol
Exact Mass467.17
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-1-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1F)C1CCN(C(=O)c2cccc(OCc3cscn3)c2)CC1
InChIInChI=1S/C25H26FN3O3S/c26-23-7-2-1-4-18(23)8-11-27-24(30)19-9-12-29(13-10-19)25(31)20-5-3-6-22(14-20)32-15-21-16-33-17-28-21/h1-7,14,16-17,19H,8-13,15H2,(H,27,30)
InChIKeyNAOIHLPCXOLPNG-UHFFFAOYSA-N
XLogP4.07
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-1-(4-phenoxybenzoyl)piperidine-4-carboxamide
CID 55779298
(4-methoxyphenyl)-[1-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidin-4-yl]methanone
CID 25475563
azetidin-1-yl-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 134041483
N-[2-(2-fluorophenyl)ethyl]-1-(3-nitrobenzoyl)piperidine-4-carboxamide
CID 55779155
N-[2-(2-fluorophenyl)ethyl]-1-[3-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxamide
CID 55779272
1-[3-(2,2-dimethylpropanoylamino)benzoyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55779153
N-[2-(2-fluorophenyl)ethyl]-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxamide
CID 55779188
1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
N-[2-(2-fluorophenyl)ethyl]-3-(piperidine-1-carbonyl)benzamide
CID 109052000
N-[2-(2-fluorophenyl)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27848033
1-(5-chloro-2-fluorobenzoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55779052
1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 39713860

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidine-4-carboxamide (CID 55782323) is N-[2-(2-fluorophenyl)ethyl]-1-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-1-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-1-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidine-4-carboxamide is O=C(NCCc1ccccc1F)C1CCN(C(=O)c2cccc(OCc3cscn3)c2)CC1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-1-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidine-4-carboxamide?
The InChIKey is NAOIHLPCXOLPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O3S/c26-23-7-2-1-4-18(23)8-11-27-24(30)19-9-12-29(13-10-19)25(31)20-5-3-6-22(14-20)32-15-21-16-33-17-28-21/h1-7,14,16-17,19H,8-13,15H2,(H,27,30).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-1-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidine-4-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-1-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidine-4-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-1-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 55782323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).