1-[2-(2-benzylphenoxy)acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

C25H27N3O3S — CID 55952016

IUPAC1-[2-(2-benzylphenoxy)acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1csc(NC(=O)C2CCN(C(=O)COc3ccccc3Cc3ccccc3)CC2)n1
InChIInChI=1S/C25H27N3O3S/c1-18-17-32-25(26-18)27-24(30)20-11-13-28(14-12-20)23(29)16-31-22-10-6-5-9-21(22)15-19-7-3-2-4-8-19/h2-10,17,20H,11-16H2,1H3,(H,26,27,30)
InChIKeyAGFMLRBIVBTIEN-UHFFFAOYSA-N
MW449.58 g/mol
LogP4.30
Rot. Bonds7

About 1-[2-(2-benzylphenoxy)acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

1-[2-(2-benzylphenoxy)acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 55952016) has the molecular formula C25H27N3O3S and a molecular weight of 449.58 g/mol. Its IUPAC name is 1-[2-(2-benzylphenoxy)acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2-benzylphenoxy)acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID55952016
Molecular FormulaC25H27N3O3S
Molecular Weight449.58 g/mol
Exact Mass449.18
IUPAC Name1-[2-(2-benzylphenoxy)acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1csc(NC(=O)C2CCN(C(=O)COc3ccccc3Cc3ccccc3)CC2)n1
InChIInChI=1S/C25H27N3O3S/c1-18-17-32-25(26-18)27-24(30)20-11-13-28(14-12-20)23(29)16-31-22-10-6-5-9-21(22)15-19-7-3-2-4-8-19/h2-10,17,20H,11-16H2,1H3,(H,26,27,30)
InChIKeyAGFMLRBIVBTIEN-UHFFFAOYSA-N
XLogP4.30
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[2-(2-benzylphenoxy)acetyl]piperidine-4-carboxylate
CID 8922558
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 39011385
2-(2-benzylphenoxy)-1-pyrrolidin-1-ylethanone
CID 78760780
1-(2-phenoxyacetyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55630273
4-N-(2-methoxyphenyl)-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 86986741
1-(4-acetylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone
CID 78767258
N-(4-methyl-1,3-thiazol-2-yl)-1-[4-(phenoxymethyl)benzoyl]piperidine-4-carboxamide
CID 55952791
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 55660730
4-benzyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 86986848
2-(2-benzylphenoxy)-1-(4-methylidenepiperidin-1-yl)ethanone
CID 56570370
4-N-methyl-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 47194180
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46409351

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-benzylphenoxy)acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2-benzylphenoxy)acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 55952016) is 1-[2-(2-benzylphenoxy)acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2-benzylphenoxy)acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2-benzylphenoxy)acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is Cc1csc(NC(=O)C2CCN(C(=O)COc3ccccc3Cc3ccccc3)CC2)n1.
What is the InChIKey of 1-[2-(2-benzylphenoxy)acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is AGFMLRBIVBTIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3S/c1-18-17-32-25(26-18)27-24(30)20-11-13-28(14-12-20)23(29)16-31-22-10-6-5-9-21(22)15-19-7-3-2-4-8-19/h2-10,17,20H,11-16H2,1H3,(H,26,27,30).
What are the key properties of 1-[2-(2-benzylphenoxy)acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-[2-(2-benzylphenoxy)acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 449.58 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-benzylphenoxy)acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 55952016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).