2-[3-(4-benzylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide

C26H30N4O3S — CID 46393622

IUPAC2-[3-(4-benzylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CSc2nccnc2N2CCC(Cc3ccccc3)CC2)cc(OC)c1
InChIInChI=1S/C26H30N4O3S/c1-32-22-15-21(16-23(17-22)33-2)29-24(31)18-34-26-25(27-10-11-28-26)30-12-8-20(9-13-30)14-19-6-4-3-5-7-19/h3-7,10-11,15-17,20H,8-9,12-14,18H2,1-2H3,(H,29,31)
InChIKeyABGJOSOFDVWWTG-UHFFFAOYSA-N
MW478.62 g/mol
LogP4.68
Rot. Bonds9

About 2-[3-(4-benzylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide

2-[3-(4-benzylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide (PubChem CID 46393622) has the molecular formula C26H30N4O3S and a molecular weight of 478.62 g/mol. Its IUPAC name is 2-[3-(4-benzylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-benzylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide
PubChem CID46393622
Molecular FormulaC26H30N4O3S
Molecular Weight478.62 g/mol
Exact Mass478.20
IUPAC Name2-[3-(4-benzylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CSc2nccnc2N2CCC(Cc3ccccc3)CC2)cc(OC)c1
InChIInChI=1S/C26H30N4O3S/c1-32-22-15-21(16-23(17-22)33-2)29-24(31)18-34-26-25(27-10-11-28-26)30-12-8-20(9-13-30)14-19-6-4-3-5-7-19/h3-7,10-11,15-17,20H,8-9,12-14,18H2,1-2H3,(H,29,31)
InChIKeyABGJOSOFDVWWTG-UHFFFAOYSA-N
XLogP4.68
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[3-(4-benzylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(4-benzylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 46393626
2-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 859319
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide
CID 51319417
2-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 50836633
2-[[3-(4-benzylpiperidine-1-carbonyl)-2-pyridinyl]sulfanyl]-N-(3,4-difluorophenyl)acetamide
CID 23936819
N-(2,4-dimethoxyphenyl)-2-(3-piperidin-1-ylpyrazin-2-yl)sulfanylacetamide
CID 95919448
3-(4-benzylpiperidin-1-yl)-N-(3-methoxyphenyl)-3-oxopropanamide
CID 108952153
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 46393694
N-(3-methylsulfanylphenyl)-2-[3-(4-phenylpiperazin-1-yl)pyrazin-2-yl]sulfanylacetamide
CID 46393605
N-(2-ethoxyphenyl)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide
CID 46393657
2-benzyl-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide
CID 51134992
N-(3,5-dimethoxyphenyl)-3-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]propanamide
CID 91830184

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-benzylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[3-(4-benzylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide (CID 46393622) is 2-[3-(4-benzylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-(4-benzylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[3-(4-benzylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide is COc1cc(NC(=O)CSc2nccnc2N2CCC(Cc3ccccc3)CC2)cc(OC)c1.
What is the InChIKey of 2-[3-(4-benzylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide?
The InChIKey is ABGJOSOFDVWWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3S/c1-32-22-15-21(16-23(17-22)33-2)29-24(31)18-34-26-25(27-10-11-28-26)30-12-8-20(9-13-30)14-19-6-4-3-5-7-19/h3-7,10-11,15-17,20H,8-9,12-14,18H2,1-2H3,(H,29,31).
What are the key properties of 2-[3-(4-benzylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide?
2-[3-(4-benzylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide has a molecular weight of 478.62 g/mol, XLogP of 4.68, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-benzylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 46393622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).