2-[4-[(2Z,4Z)-3-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazin-1-yl]acetamide

C14H20F3N3O — CID 143979325

IUPAC2-[4-[(2Z,4Z)-3-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazin-1-yl]acetamide
SMILESC=C/C=C\C(=C(/C)N1CCN(CC(N)=O)CC1)C(F)(F)F
InChIInChI=1S/C14H20F3N3O/c1-3-4-5-12(14(15,16)17)11(2)20-8-6-19(7-9-20)10-13(18)21/h3-5H,1,6-10H2,2H3,(H2,18,21)/b5-4-,12-11-
InChIKeyNSIGAWDZLMMXEJ-NHTRZOJKSA-N
MW303.33 g/mol
LogP1.67
Rot. Bonds5

About 2-[4-[(2Z,4Z)-3-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazin-1-yl]acetamide

2-[4-[(2Z,4Z)-3-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazin-1-yl]acetamide (PubChem CID 143979325) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-[4-[(2Z,4Z)-3-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(2Z,4Z)-3-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazin-1-yl]acetamide
PubChem CID143979325
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name2-[4-[(2Z,4Z)-3-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazin-1-yl]acetamide
SMILESC=C/C=C\C(=C(/C)N1CCN(CC(N)=O)CC1)C(F)(F)F
InChIInChI=1S/C14H20F3N3O/c1-3-4-5-12(14(15,16)17)11(2)20-8-6-19(7-9-20)10-13(18)21/h3-5H,1,6-10H2,2H3,(H2,18,21)/b5-4-,12-11-
InChIKeyNSIGAWDZLMMXEJ-NHTRZOJKSA-N
XLogP1.67
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2Z,4Z)-3-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-[(2Z,4Z)-3-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazin-1-yl]acetamide (CID 143979325) is 2-[4-[(2Z,4Z)-3-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(2Z,4Z)-3-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(2Z,4Z)-3-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazin-1-yl]acetamide is C=C/C=C\C(=C(/C)N1CCN(CC(N)=O)CC1)C(F)(F)F.
What is the InChIKey of 2-[4-[(2Z,4Z)-3-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazin-1-yl]acetamide?
The InChIKey is NSIGAWDZLMMXEJ-NHTRZOJKSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-3-4-5-12(14(15,16)17)11(2)20-8-6-19(7-9-20)10-13(18)21/h3-5H,1,6-10H2,2H3,(H2,18,21)/b5-4-,12-11-.
What are the key properties of 2-[4-[(2Z,4Z)-3-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazin-1-yl]acetamide?
2-[4-[(2Z,4Z)-3-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazin-1-yl]acetamide has a molecular weight of 303.33 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2Z,4Z)-3-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazin-1-yl]acetamide is sourced from PubChem (CID 143979325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).