N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(4-propanoylphenoxy)acetamide

C23H30N2O3S — CID 43003426

IUPACN-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NCC(c2cccs2)N2CCC(C)CC2)cc1
InChIInChI=1S/C23H30N2O3S/c1-3-21(26)18-6-8-19(9-7-18)28-16-23(27)24-15-20(22-5-4-14-29-22)25-12-10-17(2)11-13-25/h4-9,14,17,20H,3,10-13,15-16H2,1-2H3,(H,24,27)
InChIKeyOGGCSEWHJVIWSZ-UHFFFAOYSA-N
MW414.57 g/mol
LogP4.31
Rot. Bonds9

About N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(4-propanoylphenoxy)acetamide

N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(4-propanoylphenoxy)acetamide (PubChem CID 43003426) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(4-propanoylphenoxy)acetamide
PubChem CID43003426
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC NameN-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NCC(c2cccs2)N2CCC(C)CC2)cc1
InChIInChI=1S/C23H30N2O3S/c1-3-21(26)18-6-8-19(9-7-18)28-16-23(27)24-15-20(22-5-4-14-29-22)25-12-10-17(2)11-13-25/h4-9,14,17,20H,3,10-13,15-16H2,1-2H3,(H,24,27)
InChIKeyOGGCSEWHJVIWSZ-UHFFFAOYSA-N
XLogP4.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(4-propanoylphenoxy)acetamide (CID 43003426) is N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(4-propanoylphenoxy)acetamide is CCC(=O)c1ccc(OCC(=O)NCC(c2cccs2)N2CCC(C)CC2)cc1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(4-propanoylphenoxy)acetamide?
The InChIKey is OGGCSEWHJVIWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-3-21(26)18-6-8-19(9-7-18)28-16-23(27)24-15-20(22-5-4-14-29-22)25-12-10-17(2)11-13-25/h4-9,14,17,20H,3,10-13,15-16H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(4-propanoylphenoxy)acetamide?
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(4-propanoylphenoxy)acetamide has a molecular weight of 414.57 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(4-propanoylphenoxy)acetamide is sourced from PubChem (CID 43003426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).