N-(1-benzylpiperidin-4-yl)-2-(4-methylsulfanylphenyl)acetamide

C21H26N2OS — CID 10689502

IUPACN-(1-benzylpiperidin-4-yl)-2-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N2OS/c1-25-20-9-7-17(8-10-20)15-21(24)22-19-11-13-23(14-12-19)16-18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3,(H,22,24)
InChIKeyKQOBLYYYOTZPTL-UHFFFAOYSA-N
MW354.52 g/mol
LogP3.73
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-2-(4-methylsulfanylphenyl)acetamide

N-(1-benzylpiperidin-4-yl)-2-(4-methylsulfanylphenyl)acetamide (PubChem CID 10689502) has the molecular formula C21H26N2OS and a molecular weight of 354.52 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(4-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(4-methylsulfanylphenyl)acetamide
PubChem CID10689502
Molecular FormulaC21H26N2OS
Molecular Weight354.52 g/mol
Exact Mass354.18
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N2OS/c1-25-20-9-7-17(8-10-20)15-21(24)22-19-11-13-23(14-12-19)16-18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3,(H,22,24)
InChIKeyKQOBLYYYOTZPTL-UHFFFAOYSA-N
XLogP3.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(4-methylsulfanylphenyl)acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(4-methylsulfanylphenyl)acetamide (CID 10689502) is N-(1-benzylpiperidin-4-yl)-2-(4-methylsulfanylphenyl)acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(4-methylsulfanylphenyl)acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(4-methylsulfanylphenyl)acetamide is CSc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(4-methylsulfanylphenyl)acetamide?
The InChIKey is KQOBLYYYOTZPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2OS/c1-25-20-9-7-17(8-10-20)15-21(24)22-19-11-13-23(14-12-19)16-18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3,(H,22,24).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(4-methylsulfanylphenyl)acetamide?
N-(1-benzylpiperidin-4-yl)-2-(4-methylsulfanylphenyl)acetamide has a molecular weight of 354.52 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(4-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 10689502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).