1-[2-(4-methylphenyl)-2-oxoacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

C18H19N3O3S — CID 51125247

IUPAC1-[2-(4-methylphenyl)-2-oxoacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCc1ccc(C(=O)C(=O)N2CCCC(C(=O)Nc3nccs3)C2)cc1
InChIInChI=1S/C18H19N3O3S/c1-12-4-6-13(7-5-12)15(22)17(24)21-9-2-3-14(11-21)16(23)20-18-19-8-10-25-18/h4-8,10,14H,2-3,9,11H2,1H3,(H,19,20,23)
InChIKeyJSVQTCHWOIWHDS-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.51
Rot. Bonds4

About 1-[2-(4-methylphenyl)-2-oxoacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

1-[2-(4-methylphenyl)-2-oxoacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 51125247) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 1-[2-(4-methylphenyl)-2-oxoacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-methylphenyl)-2-oxoacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID51125247
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name1-[2-(4-methylphenyl)-2-oxoacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCc1ccc(C(=O)C(=O)N2CCCC(C(=O)Nc3nccs3)C2)cc1
InChIInChI=1S/C18H19N3O3S/c1-12-4-6-13(7-5-12)15(22)17(24)21-9-2-3-14(11-21)16(23)20-18-19-8-10-25-18/h4-8,10,14H,2-3,9,11H2,1H3,(H,19,20,23)
InChIKeyJSVQTCHWOIWHDS-UHFFFAOYSA-N
XLogP2.51
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(6-methoxypyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 47067016
1-[4-(methylsulfamoyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55812809
tert-butyl (3R)-3-(1,3-thiazol-2-ylcarbamoyl)piperidine-1-carboxylate
CID 41113080
1-[2-[(3,5-dimethylbenzoyl)amino]acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55818678
(3R)-1-(2-methoxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94132003
1-(4-cyclopentyloxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55961185
(3S)-1-N-(pyridin-2-ylmethyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
CID 94656232
1-[2-[(3-methylbenzoyl)amino]propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55959519
(3R)-1-[(2E,4E)-hexa-2,4-dienoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94816093
(3S)-1-[(2E,4E)-hexa-2,4-dienoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94638871
3-N-(1,3-thiazol-2-yl)-1-N-(1-thiophen-2-ylpropyl)piperidine-1,3-dicarboxamide
CID 55931373
1-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55810868

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenyl)-2-oxoacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-(4-methylphenyl)-2-oxoacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 51125247) is 1-[2-(4-methylphenyl)-2-oxoacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-methylphenyl)-2-oxoacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-methylphenyl)-2-oxoacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is Cc1ccc(C(=O)C(=O)N2CCCC(C(=O)Nc3nccs3)C2)cc1.
What is the InChIKey of 1-[2-(4-methylphenyl)-2-oxoacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is JSVQTCHWOIWHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-12-4-6-13(7-5-12)15(22)17(24)21-9-2-3-14(11-21)16(23)20-18-19-8-10-25-18/h4-8,10,14H,2-3,9,11H2,1H3,(H,19,20,23).
What are the key properties of 1-[2-(4-methylphenyl)-2-oxoacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
1-[2-(4-methylphenyl)-2-oxoacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenyl)-2-oxoacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 51125247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).