2-(6-fluoro-1-benzofuran-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide

C17H19F4N3O2 — CID 120811065

IUPAC2-(6-fluoro-1-benzofuran-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
SMILESO=C(Cc1coc2cc(F)ccc12)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C17H19F4N3O2/c18-12-1-2-13-11(10-26-14(13)8-12)7-16(25)23-9-15(17(19,20)21)24-5-3-22-4-6-24/h1-2,8,10,15,22H,3-7,9H2,(H,23,25)
InChIKeyAONKQBPOONDFMN-UHFFFAOYSA-N
MW373.35 g/mol
LogP2.07
Rot. Bonds5

About 2-(6-fluoro-1-benzofuran-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide

2-(6-fluoro-1-benzofuran-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide (PubChem CID 120811065) has the molecular formula C17H19F4N3O2 and a molecular weight of 373.35 g/mol. Its IUPAC name is 2-(6-fluoro-1-benzofuran-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(6-fluoro-1-benzofuran-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
PubChem CID120811065
Molecular FormulaC17H19F4N3O2
Molecular Weight373.35 g/mol
Exact Mass373.14
IUPAC Name2-(6-fluoro-1-benzofuran-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
SMILESO=C(Cc1coc2cc(F)ccc12)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C17H19F4N3O2/c18-12-1-2-13-11(10-26-14(13)8-12)7-16(25)23-9-15(17(19,20)21)24-5-3-22-4-6-24/h1-2,8,10,15,22H,3-7,9H2,(H,23,25)
InChIKeyAONKQBPOONDFMN-UHFFFAOYSA-N
XLogP2.07
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120810976
2-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120812609
2-bromo-5-fluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120810815
2-(5-methylthiophen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120812458
2-(4-chlorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811781
4-(2,4-difluorophenyl)-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 120812974
2-(4-acetylphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120812420
2-(1,2-benzoxazol-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120812591
2-(1-benzothiophen-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811209
3-(4-fluorophenyl)sulfanyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 120811686
3-(4-fluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 120811604
1-(3-fluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide
CID 120812569

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1-benzofuran-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
The IUPAC name of 2-(6-fluoro-1-benzofuran-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide (CID 120811065) is 2-(6-fluoro-1-benzofuran-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(6-fluoro-1-benzofuran-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(6-fluoro-1-benzofuran-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide is O=C(Cc1coc2cc(F)ccc12)NCC(N1CCNCC1)C(F)(F)F.
What is the InChIKey of 2-(6-fluoro-1-benzofuran-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
The InChIKey is AONKQBPOONDFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F4N3O2/c18-12-1-2-13-11(10-26-14(13)8-12)7-16(25)23-9-15(17(19,20)21)24-5-3-22-4-6-24/h1-2,8,10,15,22H,3-7,9H2,(H,23,25).
What are the key properties of 2-(6-fluoro-1-benzofuran-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
2-(6-fluoro-1-benzofuran-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide has a molecular weight of 373.35 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-benzofuran-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide is sourced from PubChem (CID 120811065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).