2-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide

C19H26F3N3O — CID 120812609

IUPAC2-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
SMILESO=C(Cc1ccc2c(c1)CCCC2)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C19H26F3N3O/c20-19(21,22)17(25-9-7-23-8-10-25)13-24-18(26)12-14-5-6-15-3-1-2-4-16(15)11-14/h5-6,11,17,23H,1-4,7-10,12-13H2,(H,24,26)
InChIKeyNVEQYDCWLUNVFO-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.06
Rot. Bonds5

About 2-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide

2-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide (PubChem CID 120812609) has the molecular formula C19H26F3N3O and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
PubChem CID120812609
Molecular FormulaC19H26F3N3O
Molecular Weight369.43 g/mol
Exact Mass369.20
IUPAC Name2-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
SMILESO=C(Cc1ccc2c(c1)CCCC2)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C19H26F3N3O/c20-19(21,22)17(25-9-7-23-8-10-25)13-24-18(26)12-14-5-6-15-3-1-2-4-16(15)11-14/h5-6,11,17,23H,1-4,7-10,12-13H2,(H,24,26)
InChIKeyNVEQYDCWLUNVFO-UHFFFAOYSA-N
XLogP2.06
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
The IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide (CID 120812609) is 2-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide is O=C(Cc1ccc2c(c1)CCCC2)NCC(N1CCNCC1)C(F)(F)F.
What is the InChIKey of 2-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
The InChIKey is NVEQYDCWLUNVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O/c20-19(21,22)17(25-9-7-23-8-10-25)13-24-18(26)12-14-5-6-15-3-1-2-4-16(15)11-14/h5-6,11,17,23H,1-4,7-10,12-13H2,(H,24,26).
What are the key properties of 2-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
2-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide has a molecular weight of 369.43 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide is sourced from PubChem (CID 120812609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).