[4-[2-(2-phenylmethoxyphenoxy)ethyl]piperidin-1-yl] 2-(1,3-thiazol-4-yl)acetate

C25H28N2O4S — CID 174789435

IUPAC[4-[2-(2-phenylmethoxyphenoxy)ethyl]piperidin-1-yl] 2-(1,3-thiazol-4-yl)acetate
SMILESO=C(Cc1cscn1)ON1CCC(CCOc2ccccc2OCc2ccccc2)CC1
InChIInChI=1S/C25H28N2O4S/c28-25(16-22-18-32-19-26-22)31-27-13-10-20(11-14-27)12-15-29-23-8-4-5-9-24(23)30-17-21-6-2-1-3-7-21/h1-9,18-20H,10-17H2
InChIKeyOHRYNURBKRDRKY-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.90
Rot. Bonds10

About [4-[2-(2-phenylmethoxyphenoxy)ethyl]piperidin-1-yl] 2-(1,3-thiazol-4-yl)acetate

[4-[2-(2-phenylmethoxyphenoxy)ethyl]piperidin-1-yl] 2-(1,3-thiazol-4-yl)acetate (PubChem CID 174789435) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is [4-[2-(2-phenylmethoxyphenoxy)ethyl]piperidin-1-yl] 2-(1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name[4-[2-(2-phenylmethoxyphenoxy)ethyl]piperidin-1-yl] 2-(1,3-thiazol-4-yl)acetate
PubChem CID174789435
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name[4-[2-(2-phenylmethoxyphenoxy)ethyl]piperidin-1-yl] 2-(1,3-thiazol-4-yl)acetate
SMILESO=C(Cc1cscn1)ON1CCC(CCOc2ccccc2OCc2ccccc2)CC1
InChIInChI=1S/C25H28N2O4S/c28-25(16-22-18-32-19-26-22)31-27-13-10-20(11-14-27)12-15-29-23-8-4-5-9-24(23)30-17-21-6-2-1-3-7-21/h1-9,18-20H,10-17H2
InChIKeyOHRYNURBKRDRKY-UHFFFAOYSA-N
XLogP4.90
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[2-(2-phenylmethoxyphenoxy)ethyl]piperidin-1-yl] 2-(1,3-thiazol-4-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[2-(5-bromo-2-chlorophenoxy)ethyl]piperidin-1-yl] 2-(1,3-thiazol-4-yl)acetate
CID 174807373
1,3-thiazol-4-ylmethyl 4-[2-(2-benzylphenoxy)ethyl]piperidine-1-carboxylate
CID 67325989
4-[2-[(4-phenylmethoxy-1,2-benzoxazol-3-yl)oxy]ethyl]piperidine-1-carboxylic acid
CID 69317478
(4-benzylpiperidin-1-yl) hydrogen carbonate
CID 90757299
[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-[2-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 125146059
1,3-thiazol-4-ylmethyl 4-[2-(4-chlorophenoxy)ethyl]piperidine-1-carboxylate
CID 53327510
(3S)-1-[2-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidine-3-carboxylic acid
CID 99638936
(1S,6R,7R)-3-[2-(1,3-thiazol-4-ylmethoxy)benzoyl]-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
CID 166254770
4-[(4-benzylpiperazin-1-yl)methyl]-1,3-thiazole
CID 51073552
thiomorpholin-4-yl 2-phenylacetate
CID 174483517
1,3-thiazol-4-ylmethyl 4-(2-quinolin-6-yloxyethyl)piperidine-1-carboxylate
CID 67325747
1,3-thiazol-4-ylmethyl 4-[2-[3-(1,1,2,2,2-pentafluoroethyl)phenoxy]ethyl]piperidine-1-carboxylate
CID 87356759

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-phenylmethoxyphenoxy)ethyl]piperidin-1-yl] 2-(1,3-thiazol-4-yl)acetate?
The IUPAC name of [4-[2-(2-phenylmethoxyphenoxy)ethyl]piperidin-1-yl] 2-(1,3-thiazol-4-yl)acetate (CID 174789435) is [4-[2-(2-phenylmethoxyphenoxy)ethyl]piperidin-1-yl] 2-(1,3-thiazol-4-yl)acetate.
What is the SMILES notation for [4-[2-(2-phenylmethoxyphenoxy)ethyl]piperidin-1-yl] 2-(1,3-thiazol-4-yl)acetate?
The canonical SMILES for [4-[2-(2-phenylmethoxyphenoxy)ethyl]piperidin-1-yl] 2-(1,3-thiazol-4-yl)acetate is O=C(Cc1cscn1)ON1CCC(CCOc2ccccc2OCc2ccccc2)CC1.
What is the InChIKey of [4-[2-(2-phenylmethoxyphenoxy)ethyl]piperidin-1-yl] 2-(1,3-thiazol-4-yl)acetate?
The InChIKey is OHRYNURBKRDRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c28-25(16-22-18-32-19-26-22)31-27-13-10-20(11-14-27)12-15-29-23-8-4-5-9-24(23)30-17-21-6-2-1-3-7-21/h1-9,18-20H,10-17H2.
What are the key properties of [4-[2-(2-phenylmethoxyphenoxy)ethyl]piperidin-1-yl] 2-(1,3-thiazol-4-yl)acetate?
[4-[2-(2-phenylmethoxyphenoxy)ethyl]piperidin-1-yl] 2-(1,3-thiazol-4-yl)acetate has a molecular weight of 452.58 g/mol, XLogP of 4.90, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-phenylmethoxyphenoxy)ethyl]piperidin-1-yl] 2-(1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 174789435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).