2-(1-benzothiophen-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide

C17H20F3N3OS — CID 120811209

IUPAC2-(1-benzothiophen-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
SMILESO=C(Cc1csc2ccccc12)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C17H20F3N3OS/c18-17(19,20)15(23-7-5-21-6-8-23)10-22-16(24)9-12-11-25-14-4-2-1-3-13(12)14/h1-4,11,15,21H,5-10H2,(H,22,24)
InChIKeyQQWBPJOSGCAVEG-UHFFFAOYSA-N
MW371.43 g/mol
LogP2.40
Rot. Bonds5

About 2-(1-benzothiophen-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide

2-(1-benzothiophen-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide (PubChem CID 120811209) has the molecular formula C17H20F3N3OS and a molecular weight of 371.43 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
PubChem CID120811209
Molecular FormulaC17H20F3N3OS
Molecular Weight371.43 g/mol
Exact Mass371.13
IUPAC Name2-(1-benzothiophen-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
SMILESO=C(Cc1csc2ccccc12)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C17H20F3N3OS/c18-17(19,20)15(23-7-5-21-6-8-23)10-22-16(24)9-12-11-25-14-4-2-1-3-13(12)14/h1-4,11,15,21H,5-10H2,(H,22,24)
InChIKeyQQWBPJOSGCAVEG-UHFFFAOYSA-N
XLogP2.40
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
The IUPAC name of 2-(1-benzothiophen-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide (CID 120811209) is 2-(1-benzothiophen-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide is O=C(Cc1csc2ccccc12)NCC(N1CCNCC1)C(F)(F)F.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
The InChIKey is QQWBPJOSGCAVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3OS/c18-17(19,20)15(23-7-5-21-6-8-23)10-22-16(24)9-12-11-25-14-4-2-1-3-13(12)14/h1-4,11,15,21H,5-10H2,(H,22,24).
What are the key properties of 2-(1-benzothiophen-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
2-(1-benzothiophen-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide has a molecular weight of 371.43 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide is sourced from PubChem (CID 120811209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).