2-(4-benzylpiperidin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide

C20H26N2OS — CID 16566117

IUPAC2-(4-benzylpiperidin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(NC(=O)CN1CCC(Cc2ccccc2)CC1)c1cccs1
InChIInChI=1S/C20H26N2OS/c1-16(19-8-5-13-24-19)21-20(23)15-22-11-9-18(10-12-22)14-17-6-3-2-4-7-17/h2-8,13,16,18H,9-12,14-15H2,1H3,(H,21,23)
InChIKeyAOJKLLHPPJASAY-UHFFFAOYSA-N
MW342.51 g/mol
LogP3.88
Rot. Bonds6

About 2-(4-benzylpiperidin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide

2-(4-benzylpiperidin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 16566117) has the molecular formula C20H26N2OS and a molecular weight of 342.51 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID16566117
Molecular FormulaC20H26N2OS
Molecular Weight342.51 g/mol
Exact Mass342.18
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(NC(=O)CN1CCC(Cc2ccccc2)CC1)c1cccs1
InChIInChI=1S/C20H26N2OS/c1-16(19-8-5-13-24-19)21-20(23)15-22-11-9-18(10-12-22)14-17-6-3-2-4-7-17/h2-8,13,16,18H,9-12,14-15H2,1H3,(H,21,23)
InChIKeyAOJKLLHPPJASAY-UHFFFAOYSA-N
XLogP3.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 80546360
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 115647928
2-(4-benzylpiperidin-1-yl)-N-(1-cyclopropylethyl)acetamide
CID 78719824
2-(4-benzylpiperidin-1-yl)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 9430556
N-butan-2-yl-2-[4-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperazin-1-yl]acetamide
CID 134045399
2-(4-benzoylpiperazin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 9223416
ethyl 1-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperidine-4-carboxylate
CID 42884527
2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 17487495
2-[1-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]azetidin-3-yl]propanoic acid
CID 116684068
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-benzylpiperidin-1-yl)acetamide
CID 8904535
ethyl 4-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]piperazine-1-carboxylate
CID 8544148
2-(3,5-dimethylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 63872915

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide (CID 16566117) is 2-(4-benzylpiperidin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide is CC(NC(=O)CN1CCC(Cc2ccccc2)CC1)c1cccs1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is AOJKLLHPPJASAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2OS/c1-16(19-8-5-13-24-19)21-20(23)15-22-11-9-18(10-12-22)14-17-6-3-2-4-7-17/h2-8,13,16,18H,9-12,14-15H2,1H3,(H,21,23).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide?
2-(4-benzylpiperidin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 342.51 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 16566117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).