2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C19H23N3O2S — CID 1438309

IUPAC2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(C(=O)C2CCN(CC(=O)Nc3nc(C)cs3)CC2)cc1
InChIInChI=1S/C19H23N3O2S/c1-13-3-5-15(6-4-13)18(24)16-7-9-22(10-8-16)11-17(23)21-19-20-14(2)12-25-19/h3-6,12,16H,7-11H2,1-2H3,(H,20,21,23)
InChIKeyBIAZIEKTENDDNM-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.29
Rot. Bonds5

About 2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 1438309) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID1438309
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(C(=O)C2CCN(CC(=O)Nc3nc(C)cs3)CC2)cc1
InChIInChI=1S/C19H23N3O2S/c1-13-3-5-15(6-4-13)18(24)16-7-9-22(10-8-16)11-17(23)21-19-20-14(2)12-25-19/h3-6,12,16H,7-11H2,1-2H3,(H,20,21,23)
InChIKeyBIAZIEKTENDDNM-UHFFFAOYSA-N
XLogP3.29
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

L 006235
CID 9912381
(2S)-2-[(1-methylpiperidin-2-yl)formamido]-8-oxo-N-(4-phenyl-1,3-thiazol-2-yl)nonanamide
CID 16036765
4-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-[1-(cyanomethylcarbamoyl)cyclohexyl]benzamide
CID 11613136
N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-[4-(propan-2-ylamino)piperidin-1-yl]-1,3-thiazol-4-yl]benzamide
CID 11684874
N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-5-phenylpentanamide
CID 20969075
1-[4-(3-Acetylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 44144358
3-methyl-N-[(2S)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
CID 2082289
N-[(2S)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
CID 2341051
N-(4-(2-oxo-2-phenylethyl)thiazol-2-yl)acetamide
CID 3447813
N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]-1,3-thiazol-4-yl]benzamide
CID 11699298
N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 14962276
2-fluoro-N-[3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
CID 16196792

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 1438309) is 2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1ccc(C(=O)C2CCN(CC(=O)Nc3nc(C)cs3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is BIAZIEKTENDDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-13-3-5-15(6-4-13)18(24)16-7-9-22(10-8-16)11-17(23)21-19-20-14(2)12-25-19/h3-6,12,16H,7-11H2,1-2H3,(H,20,21,23).
What are the key properties of 2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 357.48 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 1438309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).