(5-chlorothiophen-2-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone

C16H16ClFN2OS — CID 17249851

IUPAC(5-chlorothiophen-2-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H16ClFN2OS/c17-15-6-5-14(22-15)16(21)20-9-7-19(8-10-20)11-12-1-3-13(18)4-2-12/h1-6H,7-11H2
InChIKeyBFZCHMMWIVWCFA-UHFFFAOYSA-N
MW338.83 g/mol
LogP3.50
Rot. Bonds3

About (5-chlorothiophen-2-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone

(5-chlorothiophen-2-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 17249851) has the molecular formula C16H16ClFN2OS and a molecular weight of 338.83 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID17249851
Molecular FormulaC16H16ClFN2OS
Molecular Weight338.83 g/mol
Exact Mass338.07
IUPAC Name(5-chlorothiophen-2-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H16ClFN2OS/c17-15-6-5-14(22-15)16(21)20-9-7-19(8-10-20)11-12-1-3-13(18)4-2-12/h1-6H,7-11H2
InChIKeyBFZCHMMWIVWCFA-UHFFFAOYSA-N
XLogP3.50
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.83
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone (CID 17249851) is (5-chlorothiophen-2-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone is O=C(c1ccc(Cl)s1)N1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is BFZCHMMWIVWCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2OS/c17-15-6-5-14(22-15)16(21)20-9-7-19(8-10-20)11-12-1-3-13(18)4-2-12/h1-6H,7-11H2.
What are the key properties of (5-chlorothiophen-2-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone?
(5-chlorothiophen-2-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 338.83 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 17249851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).