2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C13H17ClF3N3OS — CID 78792916

IUPAC2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCN(Cc2ccc(Cl)s2)CC1)NCC(F)(F)F
InChIInChI=1S/C13H17ClF3N3OS/c14-11-2-1-10(22-11)7-19-3-5-20(6-4-19)8-12(21)18-9-13(15,16)17/h1-2H,3-9H2,(H,18,21)
InChIKeyCJUXWVYBMCKYTD-UHFFFAOYSA-N
MW355.81 g/mol
LogP2.20
Rot. Bonds5

About 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 78792916) has the molecular formula C13H17ClF3N3OS and a molecular weight of 355.81 g/mol. Its IUPAC name is 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID78792916
Molecular FormulaC13H17ClF3N3OS
Molecular Weight355.81 g/mol
Exact Mass355.07
IUPAC Name2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCN(Cc2ccc(Cl)s2)CC1)NCC(F)(F)F
InChIInChI=1S/C13H17ClF3N3OS/c14-11-2-1-10(22-11)7-19-3-5-20(6-4-19)8-12(21)18-9-13(15,16)17/h1-2H,3-9H2,(H,18,21)
InChIKeyCJUXWVYBMCKYTD-UHFFFAOYSA-N
XLogP2.20
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.81
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 78792916) is 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN1CCN(Cc2ccc(Cl)s2)CC1)NCC(F)(F)F.
What is the InChIKey of 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is CJUXWVYBMCKYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF3N3OS/c14-11-2-1-10(22-11)7-19-3-5-20(6-4-19)8-12(21)18-9-13(15,16)17/h1-2H,3-9H2,(H,18,21).
What are the key properties of 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 355.81 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 78792916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).