6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

C19H20F3N3O2S — CID 24790499

IUPAC6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCCc1nccs1)C1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H20F3N3O2S/c20-19(21,22)15-3-1-2-13(10-15)11-25-12-14(4-5-17(25)26)18(27)24-7-6-16-23-8-9-28-16/h1-3,8-10,14H,4-7,11-12H2,(H,24,27)
InChIKeyNNNGBTQTBHXZMF-UHFFFAOYSA-N
MW411.45 g/mol
LogP3.26
Rot. Bonds6

About 6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 24790499) has the molecular formula C19H20F3N3O2S and a molecular weight of 411.45 g/mol. Its IUPAC name is 6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID24790499
Molecular FormulaC19H20F3N3O2S
Molecular Weight411.45 g/mol
Exact Mass411.12
IUPAC Name6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCCc1nccs1)C1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H20F3N3O2S/c20-19(21,22)15-3-1-2-13(10-15)11-25-12-14(4-5-17(25)26)18(27)24-7-6-16-23-8-9-28-16/h1-3,8-10,14H,4-7,11-12H2,(H,24,27)
InChIKeyNNNGBTQTBHXZMF-UHFFFAOYSA-N
XLogP3.26
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-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

3-Methyl-N-{[4-(1,3-thiazol-2-yl)piperidin-1-yl]methyl}benzamide
CID 16094665
N-(2-fluorobenzyl)-3-{1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl}propanamide
CID 16192085
N-(3,4-difluorobenzyl)-3-{1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl}propanamide
CID 16192186
2-(4-Benzyl-2-oxo-piperazin-1-yl)-N-[(R)-4-guanidino-1-(thiazole-2-carbonyl)-butyl]-acetamide
CID 44376056
(R)-N-(3,5-bis(trifluoromethyl)benzyl)-4-(4-phenylpiperidin-1-yl)-2-(thiazol-4-yl)butanamide
CID 44425305
2-(4-benzyl-2-oxopiperazin-1-yl)-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide
CID 44453410
1-[(3,4-difluorophenyl)methyl]-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-3-carboxamide
CID 162651491
N-(3,4-difluorobenzyl)-3-[1-(1,3-thiazol-5-ylcarbonyl)piperidin-3-yl]propanamide
CID 16191726
N-methyl-6-oxo-1-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)-3-piperidinecarboxamide
CID 24790243
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-fluorobenzyl)-6-oxo-3-piperidinecarboxamide
CID 24790667
Sdccgsbi-0117378.P001
CID 24790836
(4R)-2-oxo-4-(thiazol-2-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]azetidine-1-carboxamide
CID 485019

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (CID 24790499) is 6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is O=C(NCCc1nccs1)C1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is NNNGBTQTBHXZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2S/c20-19(21,22)15-3-1-2-13(10-15)11-25-12-14(4-5-17(25)26)18(27)24-7-6-16-23-8-9-28-16/h1-3,8-10,14H,4-7,11-12H2,(H,24,27).
What are the key properties of 6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 411.45 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 24790499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).