1-[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

C25H28N4O3S — CID 55810082

IUPAC1-[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCCOc1ccc(-c2nc(CC(=O)N3CCC(C(=O)Nc4ccc(C)cn4)CC3)cs2)cc1
InChIInChI=1S/C25H28N4O3S/c1-3-32-21-7-5-19(6-8-21)25-27-20(16-33-25)14-23(30)29-12-10-18(11-13-29)24(31)28-22-9-4-17(2)15-26-22/h4-9,15-16,18H,3,10-14H2,1-2H3,(H,26,28,31)
InChIKeyRCPKMKLCKCYMMG-UHFFFAOYSA-N
MW464.59 g/mol
LogP4.33
Rot. Bonds7

About 1-[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55810082) has the molecular formula C25H28N4O3S and a molecular weight of 464.59 g/mol. Its IUPAC name is 1-[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55810082
Molecular FormulaC25H28N4O3S
Molecular Weight464.59 g/mol
Exact Mass464.19
IUPAC Name1-[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCCOc1ccc(-c2nc(CC(=O)N3CCC(C(=O)Nc4ccc(C)cn4)CC3)cs2)cc1
InChIInChI=1S/C25H28N4O3S/c1-3-32-21-7-5-19(6-8-21)25-27-20(16-33-25)14-23(30)29-12-10-18(11-13-29)24(31)28-22-9-4-17(2)15-26-22/h4-9,15-16,18H,3,10-14H2,1-2H3,(H,26,28,31)
InChIKeyRCPKMKLCKCYMMG-UHFFFAOYSA-N
XLogP4.33
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide 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

2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(methylamino)piperidin-1-yl]ethanone;dihydrochloride
CID 119562815
(3R)-1-[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 124683151
1-[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
CID 55724554
1-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55923208
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone
CID 119402790
N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide
CID 39701534
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(5-methyl-2-pyridinyl)acetamide
CID 35025092
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 55822311
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 55569763
1-[2-(2,5-dimethyl-1,3-thiazol-4-yl)acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 136515469
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone;dihydrochloride
CID 119397745
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 31612187

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 55810082) is 1-[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is CCOc1ccc(-c2nc(CC(=O)N3CCC(C(=O)Nc4ccc(C)cn4)CC3)cs2)cc1.
What is the InChIKey of 1-[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is RCPKMKLCKCYMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3S/c1-3-32-21-7-5-19(6-8-21)25-27-20(16-33-25)14-23(30)29-12-10-18(11-13-29)24(31)28-22-9-4-17(2)15-26-22/h4-9,15-16,18H,3,10-14H2,1-2H3,(H,26,28,31).
What are the key properties of 1-[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 464.59 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55810082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).