2-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]acetamide

C25H28FN3OS — CID 24732060

IUPAC2-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1)N(Cc1cccnc1)C1CCN(CCc2cccs2)CC1
InChIInChI=1S/C25H28FN3OS/c26-22-7-5-20(6-8-22)17-25(30)29(19-21-3-1-12-27-18-21)23-9-13-28(14-10-23)15-11-24-4-2-16-31-24/h1-8,12,16,18,23H,9-11,13-15,17,19H2
InChIKeyWJAARBCPSJUOIT-UHFFFAOYSA-N
MW437.58 g/mol
LogP4.56
Rot. Bonds8

About 2-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]acetamide

2-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]acetamide (PubChem CID 24732060) has the molecular formula C25H28FN3OS and a molecular weight of 437.58 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]acetamide
PubChem CID24732060
Molecular FormulaC25H28FN3OS
Molecular Weight437.58 g/mol
Exact Mass437.19
IUPAC Name2-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1)N(Cc1cccnc1)C1CCN(CCc2cccs2)CC1
InChIInChI=1S/C25H28FN3OS/c26-22-7-5-20(6-8-22)17-25(30)29(19-21-3-1-12-27-18-21)23-9-13-28(14-10-23)15-11-24-4-2-16-31-24/h1-8,12,16,18,23H,9-11,13-15,17,19H2
InChIKeyWJAARBCPSJUOIT-UHFFFAOYSA-N
XLogP4.56
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]acetamide (CID 24732060) is 2-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]acetamide is O=C(Cc1ccc(F)cc1)N(Cc1cccnc1)C1CCN(CCc2cccs2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]acetamide?
The InChIKey is WJAARBCPSJUOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3OS/c26-22-7-5-20(6-8-22)17-25(30)29(19-21-3-1-12-27-18-21)23-9-13-28(14-10-23)15-11-24-4-2-16-31-24/h1-8,12,16,18,23H,9-11,13-15,17,19H2.
What are the key properties of 2-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]acetamide?
2-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]acetamide has a molecular weight of 437.58 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 24732060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).