[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone

C20H18FN3OS — CID 118911862

IUPAC[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone
SMILESO=C(c1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1)N1CCNCC1
InChIInChI=1S/C20H18FN3OS/c21-16-3-1-15(2-4-16)19-17(14-5-7-22-8-6-14)13-18(26-19)20(25)24-11-9-23-10-12-24/h1-8,13,23H,9-12H2
InChIKeyLYEVWZMLEPSIBC-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.66
Rot. Bonds3

About [5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone

[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone (PubChem CID 118911862) has the molecular formula C20H18FN3OS and a molecular weight of 367.45 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone
PubChem CID118911862
Molecular FormulaC20H18FN3OS
Molecular Weight367.45 g/mol
Exact Mass367.12
IUPAC Name[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone
SMILESO=C(c1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1)N1CCNCC1
InChIInChI=1S/C20H18FN3OS/c21-16-3-1-15(2-4-16)19-17(14-5-7-22-8-6-14)13-18(26-19)20(25)24-11-9-23-10-12-24/h1-8,13,23H,9-12H2
InChIKeyLYEVWZMLEPSIBC-UHFFFAOYSA-N
XLogP3.66
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone (CID 118911862) is [5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone is O=C(c1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1)N1CCNCC1.
What is the InChIKey of [5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone?
The InChIKey is LYEVWZMLEPSIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3OS/c21-16-3-1-15(2-4-16)19-17(14-5-7-22-8-6-14)13-18(26-19)20(25)24-11-9-23-10-12-24/h1-8,13,23H,9-12H2.
What are the key properties of [5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone?
[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone has a molecular weight of 367.45 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 118911862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).