N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-2-thiophen-2-ylacetamide

C21H28N2OS — CID 25295214

IUPACN-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-2-thiophen-2-ylacetamide
SMILESCN1CCC(CN(CCc2ccccc2)C(=O)Cc2cccs2)CC1
InChIInChI=1S/C21H28N2OS/c1-22-12-9-19(10-13-22)17-23(14-11-18-6-3-2-4-7-18)21(24)16-20-8-5-15-25-20/h2-8,15,19H,9-14,16-17H2,1H3
InChIKeyZDRAQLZXFYMMPE-UHFFFAOYSA-N
MW356.53 g/mol
LogP3.70
Rot. Bonds7

About N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-2-thiophen-2-ylacetamide

N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-2-thiophen-2-ylacetamide (PubChem CID 25295214) has the molecular formula C21H28N2OS and a molecular weight of 356.53 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-2-thiophen-2-ylacetamide
PubChem CID25295214
Molecular FormulaC21H28N2OS
Molecular Weight356.53 g/mol
Exact Mass356.19
IUPAC NameN-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-2-thiophen-2-ylacetamide
SMILESCN1CCC(CN(CCc2ccccc2)C(=O)Cc2cccs2)CC1
InChIInChI=1S/C21H28N2OS/c1-22-12-9-19(10-13-22)17-23(14-11-18-6-3-2-4-7-18)21(24)16-20-8-5-15-25-20/h2-8,15,19H,9-14,16-17H2,1H3
InChIKeyZDRAQLZXFYMMPE-UHFFFAOYSA-N
XLogP3.70
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.53
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-2-thiophen-2-ylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-2-thiophen-2-ylacetamide (CID 25295214) is N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-2-thiophen-2-ylacetamide is CN1CCC(CN(CCc2ccccc2)C(=O)Cc2cccs2)CC1.
What is the InChIKey of N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-2-thiophen-2-ylacetamide?
The InChIKey is ZDRAQLZXFYMMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2OS/c1-22-12-9-19(10-13-22)17-23(14-11-18-6-3-2-4-7-18)21(24)16-20-8-5-15-25-20/h2-8,15,19H,9-14,16-17H2,1H3.
What are the key properties of N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-2-thiophen-2-ylacetamide?
N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-2-thiophen-2-ylacetamide has a molecular weight of 356.53 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 25295214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).