N-(1-benzylpiperidin-4-yl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide

C22H25N3OS2 — CID 36762015

IUPACN-(1-benzylpiperidin-4-yl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
SMILESCc1nc(-c2cccs2)c(CC(=O)NC2CCN(Cc3ccccc3)CC2)s1
InChIInChI=1S/C22H25N3OS2/c1-16-23-22(19-8-5-13-27-19)20(28-16)14-21(26)24-18-9-11-25(12-10-18)15-17-6-3-2-4-7-17/h2-8,13,18H,9-12,14-15H2,1H3,(H,24,26)
InChIKeyUBYSNSRZROSAQY-UHFFFAOYSA-N
MW411.60 g/mol
LogP4.50
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide

N-(1-benzylpiperidin-4-yl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide (PubChem CID 36762015) has the molecular formula C22H25N3OS2 and a molecular weight of 411.60 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
PubChem CID36762015
Molecular FormulaC22H25N3OS2
Molecular Weight411.60 g/mol
Exact Mass411.14
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
SMILESCc1nc(-c2cccs2)c(CC(=O)NC2CCN(Cc3ccccc3)CC2)s1
InChIInChI=1S/C22H25N3OS2/c1-16-23-22(19-8-5-13-27-19)20(28-16)14-21(26)24-18-9-11-25(12-10-18)15-17-6-3-2-4-7-17/h2-8,13,18H,9-12,14-15H2,1H3,(H,24,26)
InChIKeyUBYSNSRZROSAQY-UHFFFAOYSA-N
XLogP4.50
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.60
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-benzylpiperidin-4-yl)acetamide
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N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
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N-(1-benzylpiperidin-4-yl)-2-thiophen-2-yl-1,3-benzothiazole-6-carboxamide
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CID 53023077
N-(1-benzylpiperidin-4-yl)-2-methyl-8-thiophen-2-ylquinoline-4-carboxamide
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N-[1-[2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 33349321
1-(1-benzylpiperidin-4-yl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine
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1-benzyl-N-(1-benzylpyrrolidin-3-yl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 17449182
2-benzyl-N-(1-benzylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 39084162
N-(1-benzylpiperidin-4-yl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 25495715
N-(1-benzylpiperidin-4-yl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide (CID 36762015) is N-(1-benzylpiperidin-4-yl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide is Cc1nc(-c2cccs2)c(CC(=O)NC2CCN(Cc3ccccc3)CC2)s1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
The InChIKey is UBYSNSRZROSAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3OS2/c1-16-23-22(19-8-5-13-27-19)20(28-16)14-21(26)24-18-9-11-25(12-10-18)15-17-6-3-2-4-7-17/h2-8,13,18H,9-12,14-15H2,1H3,(H,24,26).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
N-(1-benzylpiperidin-4-yl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide has a molecular weight of 411.60 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 36762015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).