2-(2-methoxyphenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide

C20H26N2O3S — CID 16896277

IUPAC2-(2-methoxyphenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
SMILESCOc1ccccc1OCC(=O)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C20H26N2O3S/c1-24-18-6-2-3-7-19(18)25-15-20(23)21-13-16-8-10-22(11-9-16)14-17-5-4-12-26-17/h2-7,12,16H,8-11,13-15H2,1H3,(H,21,23)
InChIKeyJAVMSEYQZGSJKK-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.16
Rot. Bonds8

About 2-(2-methoxyphenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide

2-(2-methoxyphenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide (PubChem CID 16896277) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
PubChem CID16896277
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name2-(2-methoxyphenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
SMILESCOc1ccccc1OCC(=O)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C20H26N2O3S/c1-24-18-6-2-3-7-19(18)25-15-20(23)21-13-16-8-10-22(11-9-16)14-17-5-4-12-26-17/h2-7,12,16H,8-11,13-15H2,1H3,(H,21,23)
InChIKeyJAVMSEYQZGSJKK-UHFFFAOYSA-N
XLogP3.16
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide (CID 16896277) is 2-(2-methoxyphenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide is COc1ccccc1OCC(=O)NCC1CCN(Cc2cccs2)CC1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is JAVMSEYQZGSJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-24-18-6-2-3-7-19(18)25-15-20(23)21-13-16-8-10-22(11-9-16)14-17-5-4-12-26-17/h2-7,12,16H,8-11,13-15H2,1H3,(H,21,23).
What are the key properties of 2-(2-methoxyphenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide?
2-(2-methoxyphenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 374.51 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 16896277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).