(2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

C17H19N3O2S — CID 95738379

IUPAC(2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCc1ccc([C@@H]2[C@@H](C(=O)Nc3nccs3)CCC(=O)N2C)cc1
InChIInChI=1S/C17H19N3O2S/c1-11-3-5-12(6-4-11)15-13(7-8-14(21)20(15)2)16(22)19-17-18-9-10-23-17/h3-6,9-10,13,15H,7-8H2,1-2H3,(H,18,19,22)/t13-,15+/m0/s1
InChIKeyLSGGWWDREIFYGM-DZGCQCFKSA-N
MW329.43 g/mol
LogP3.00
Rot. Bonds3

About (2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

(2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 95738379) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is (2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID95738379
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name(2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCc1ccc([C@@H]2[C@@H](C(=O)Nc3nccs3)CCC(=O)N2C)cc1
InChIInChI=1S/C17H19N3O2S/c1-11-3-5-12(6-4-11)15-13(7-8-14(21)20(15)2)16(22)19-17-18-9-10-23-17/h3-6,9-10,13,15H,7-8H2,1-2H3,(H,18,19,22)/t13-,15+/m0/s1
InChIKeyLSGGWWDREIFYGM-DZGCQCFKSA-N
XLogP3.00
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 97457767
4-methyl-3-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide
CID 75538201
(2R,3R)-1-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpiperidine-3-carboxamide
CID 26093966
N-cyclohexyl-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 56730975
(2R,3R)-N-ethyl-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 95738423
(2S,3S)-2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 97457770
(2S,3S)-2-(4-fluorophenyl)-1-methyl-N-(4-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide
CID 97457679
(2S,3R)-2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 97457662
2-(4-fluorophenyl)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 75538262
(2S,3S)-1-(4-methoxyphenyl)-6-oxo-2-phenyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 9398753
(2R,3R)-1-(4-methoxyphenyl)-6-oxo-2-phenyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 9398748
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 110281578

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of (2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 95738379) is (2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is Cc1ccc([C@@H]2[C@@H](C(=O)Nc3nccs3)CCC(=O)N2C)cc1.
What is the InChIKey of (2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is LSGGWWDREIFYGM-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-11-3-5-12(6-4-11)15-13(7-8-14(21)20(15)2)16(22)19-17-18-9-10-23-17/h3-6,9-10,13,15H,7-8H2,1-2H3,(H,18,19,22)/t13-,15+/m0/s1.
What are the key properties of (2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
(2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 95738379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).