6-oxo-N-[2-(1,3-thiazol-4-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

C19H20F3N3O2S — CID 45220338

IUPAC6-oxo-N-[2-(1,3-thiazol-4-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCCc1cscn1)C1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H20F3N3O2S/c20-19(21,22)15-3-1-2-13(8-15)9-25-10-14(4-5-17(25)26)18(27)23-7-6-16-11-28-12-24-16/h1-3,8,11-12,14H,4-7,9-10H2,(H,23,27)
InChIKeyOIZDFAITNFIYNC-UHFFFAOYSA-N
MW411.45 g/mol
LogP3.26
Rot. Bonds6

About 6-oxo-N-[2-(1,3-thiazol-4-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

6-oxo-N-[2-(1,3-thiazol-4-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 45220338) 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-4-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[2-(1,3-thiazol-4-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID45220338
Molecular FormulaC19H20F3N3O2S
Molecular Weight411.45 g/mol
Exact Mass411.12
IUPAC Name6-oxo-N-[2-(1,3-thiazol-4-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCCc1cscn1)C1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H20F3N3O2S/c20-19(21,22)15-3-1-2-13(8-15)9-25-10-14(4-5-17(25)26)18(27)23-7-6-16-11-28-12-24-16/h1-3,8,11-12,14H,4-7,9-10H2,(H,23,27)
InChIKeyOIZDFAITNFIYNC-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

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Related Compounds

(3S)-N-(2-methoxyethyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 25453547
6-oxo-N-[2-(2-oxopiperidin-1-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 45222312
(3S)-N-cyclopropyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 25374926
N-(2-methylprop-2-enyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 45203089
N-cyclohexyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 24791142
(3S)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 94373729
(3R)-N-(1-methylpiperidin-4-yl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 97150024
(5R)-5-(azepane-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one
CID 42593464
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 46172075
N-(2-amino-2-methylpropyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119627320
1-[(3-methoxyphenyl)methyl]-6-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 24791595
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 45187533

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[2-(1,3-thiazol-4-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 6-oxo-N-[2-(1,3-thiazol-4-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (CID 45220338) is 6-oxo-N-[2-(1,3-thiazol-4-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[2-(1,3-thiazol-4-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[2-(1,3-thiazol-4-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is O=C(NCCc1cscn1)C1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 6-oxo-N-[2-(1,3-thiazol-4-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is OIZDFAITNFIYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2S/c20-19(21,22)15-3-1-2-13(8-15)9-25-10-14(4-5-17(25)26)18(27)23-7-6-16-11-28-12-24-16/h1-3,8,11-12,14H,4-7,9-10H2,(H,23,27).
What are the key properties of 6-oxo-N-[2-(1,3-thiazol-4-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
6-oxo-N-[2-(1,3-thiazol-4-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-4-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 45220338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).