1-(2-phenoxyacetyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

C26H29N3O3S — CID 55630273

IUPAC1-(2-phenoxyacetyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCc1cc(C)c(-c2csc(NC(=O)C3CCN(C(=O)COc4ccccc4)CC3)n2)cc1C
InChIInChI=1S/C26H29N3O3S/c1-17-13-19(3)22(14-18(17)2)23-16-33-26(27-23)28-25(31)20-9-11-29(12-10-20)24(30)15-32-21-7-5-4-6-8-21/h4-8,13-14,16,20H,9-12,15H2,1-3H3,(H,27,28,31)
InChIKeyZZQNVYOPHAKCCK-UHFFFAOYSA-N
MW463.60 g/mol
LogP4.99
Rot. Bonds6

About 1-(2-phenoxyacetyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

1-(2-phenoxyacetyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 55630273) has the molecular formula C26H29N3O3S and a molecular weight of 463.60 g/mol. Its IUPAC name is 1-(2-phenoxyacetyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-phenoxyacetyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID55630273
Molecular FormulaC26H29N3O3S
Molecular Weight463.60 g/mol
Exact Mass463.19
IUPAC Name1-(2-phenoxyacetyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCc1cc(C)c(-c2csc(NC(=O)C3CCN(C(=O)COc4ccccc4)CC3)n2)cc1C
InChIInChI=1S/C26H29N3O3S/c1-17-13-19(3)22(14-18(17)2)23-16-33-26(27-23)28-25(31)20-9-11-29(12-10-20)24(30)15-32-21-7-5-4-6-8-21/h4-8,13-14,16,20H,9-12,15H2,1-3H3,(H,27,28,31)
InChIKeyZZQNVYOPHAKCCK-UHFFFAOYSA-N
XLogP4.99
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 39011385
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 46409422
N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55633654
N-(5-methyl-1,3-thiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 46409352
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 55660730
1-butanoyl-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55895483
1-[2-(2-benzylphenoxy)acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952016
1-(3-phenoxypropanoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55856174
N-(4-iodo-2-methylphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631254
N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631454
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55630251
2-(4-methoxyphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7924821

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyacetyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-phenoxyacetyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 55630273) is 1-(2-phenoxyacetyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-phenoxyacetyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-phenoxyacetyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is Cc1cc(C)c(-c2csc(NC(=O)C3CCN(C(=O)COc4ccccc4)CC3)n2)cc1C.
What is the InChIKey of 1-(2-phenoxyacetyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is ZZQNVYOPHAKCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3S/c1-17-13-19(3)22(14-18(17)2)23-16-33-26(27-23)28-25(31)20-9-11-29(12-10-20)24(30)15-32-21-7-5-4-6-8-21/h4-8,13-14,16,20H,9-12,15H2,1-3H3,(H,27,28,31).
What are the key properties of 1-(2-phenoxyacetyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-(2-phenoxyacetyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 463.60 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyacetyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 55630273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).