2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-N-(2-thiophen-2-ylethyl)acetamide

C21H28N2O2S — CID 69242005

IUPAC2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-N-(2-thiophen-2-ylethyl)acetamide
SMILESCOc1ccc(CC(=O)N(CCc2cccs2)C2CCN(C)CC2)cc1
InChIInChI=1S/C21H28N2O2S/c1-22-12-9-18(10-13-22)23(14-11-20-4-3-15-26-20)21(24)16-17-5-7-19(25-2)8-6-17/h3-8,15,18H,9-14,16H2,1-2H3
InChIKeyPRJANXDLACKUQE-UHFFFAOYSA-N
MW372.53 g/mol
LogP3.46
Rot. Bonds7

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

2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 69242005) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID69242005
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC Name2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-N-(2-thiophen-2-ylethyl)acetamide
SMILESCOc1ccc(CC(=O)N(CCc2cccs2)C2CCN(C)CC2)cc1
InChIInChI=1S/C21H28N2O2S/c1-22-12-9-18(10-13-22)23(14-11-20-4-3-15-26-20)21(24)16-17-5-7-19(25-2)8-6-17/h3-8,15,18H,9-14,16H2,1-2H3
InChIKeyPRJANXDLACKUQE-UHFFFAOYSA-N
XLogP3.46
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 23512954
2-(4-methoxyphenyl)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide
CID 110733443
2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-N-prop-2-enylacetamide
CID 89167069
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 1059680
N-(oxan-4-yl)-2-thiophen-2-yl-N-(2-thiophen-2-ylethyl)acetamide
CID 90611026
N-(2-chloroethyl)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 63391425
2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 17387901
[4-methoxy-2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]phenyl]boronic acid
CID 79489171
methyl 3-[[(3R)-1,1-dioxothiolan-3-yl]-[2-(4-methoxyphenyl)acetyl]amino]propanoate
CID 39884758
N-cyclopropyl-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 90496022
N-cyclopentyl-N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 159758558
1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-thiophen-2-ylethyl)urea
CID 59684905

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-N-(2-thiophen-2-ylethyl)acetamide (CID 69242005) is 2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-N-(2-thiophen-2-ylethyl)acetamide is COc1ccc(CC(=O)N(CCc2cccs2)C2CCN(C)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is PRJANXDLACKUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-22-12-9-18(10-13-22)23(14-11-20-4-3-15-26-20)21(24)16-17-5-7-19(25-2)8-6-17/h3-8,15,18H,9-14,16H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-N-(2-thiophen-2-ylethyl)acetamide?
2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 372.53 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 69242005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).