1-[(2-hydroxy-4,5-dimethylphenyl)methyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide

C18H23N3O2S — CID 51092852

IUPAC1-[(2-hydroxy-4,5-dimethylphenyl)methyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1cc(O)c(CN2CCC(C(=O)Nc3nccs3)CC2)cc1C
InChIInChI=1S/C18H23N3O2S/c1-12-9-15(16(22)10-13(12)2)11-21-6-3-14(4-7-21)17(23)20-18-19-5-8-24-18/h5,8-10,14,22H,3-4,6-7,11H2,1-2H3,(H,19,20,23)
InChIKeyAMXSQZVXBMMBPE-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.32
Rot. Bonds4

About 1-[(2-hydroxy-4,5-dimethylphenyl)methyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide

1-[(2-hydroxy-4,5-dimethylphenyl)methyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 51092852) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-[(2-hydroxy-4,5-dimethylphenyl)methyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-hydroxy-4,5-dimethylphenyl)methyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID51092852
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name1-[(2-hydroxy-4,5-dimethylphenyl)methyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1cc(O)c(CN2CCC(C(=O)Nc3nccs3)CC2)cc1C
InChIInChI=1S/C18H23N3O2S/c1-12-9-15(16(22)10-13(12)2)11-21-6-3-14(4-7-21)17(23)20-18-19-5-8-24-18/h5,8-10,14,22H,3-4,6-7,11H2,1-2H3,(H,19,20,23)
InChIKeyAMXSQZVXBMMBPE-UHFFFAOYSA-N
XLogP3.32
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-propylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 47387426
1-[1-(2,4-difluorophenyl)ethyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 47068763
1-N-cyclopropyl-4-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 47245076
1-[(2-chlorophenyl)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 45007870
N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopropanecarboxamide
CID 110687201
1-[(6-fluoroquinolin-8-yl)methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55923455
1-(4-ethoxyphenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 18082310
(3S)-1-pyrimidin-2-yl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 124976321
2-[(3S,4S)-3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 163177193
1-(4-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 4822373
1-benzyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 60548570
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 96557903

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-4,5-dimethylphenyl)methyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2-hydroxy-4,5-dimethylphenyl)methyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 51092852) is 1-[(2-hydroxy-4,5-dimethylphenyl)methyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-hydroxy-4,5-dimethylphenyl)methyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-hydroxy-4,5-dimethylphenyl)methyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide is Cc1cc(O)c(CN2CCC(C(=O)Nc3nccs3)CC2)cc1C.
What is the InChIKey of 1-[(2-hydroxy-4,5-dimethylphenyl)methyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is AMXSQZVXBMMBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12-9-15(16(22)10-13(12)2)11-21-6-3-14(4-7-21)17(23)20-18-19-5-8-24-18/h5,8-10,14,22H,3-4,6-7,11H2,1-2H3,(H,19,20,23).
What are the key properties of 1-[(2-hydroxy-4,5-dimethylphenyl)methyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-[(2-hydroxy-4,5-dimethylphenyl)methyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-4,5-dimethylphenyl)methyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 51092852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).