2-[4-[(3Z,5E)-5-fluoro-3-methylocta-3,5,7-trien-2-yl]piperazin-1-yl]acetamide

C15H24FN3O — CID 143566792

IUPAC2-[4-[(3Z,5E)-5-fluoro-3-methylocta-3,5,7-trien-2-yl]piperazin-1-yl]acetamide
SMILESC=C/C=C(F)\C=C(\C)C(C)N1CCN(CC(N)=O)CC1
InChIInChI=1S/C15H24FN3O/c1-4-5-14(16)10-12(2)13(3)19-8-6-18(7-9-19)11-15(17)20/h4-5,10,13H,1,6-9,11H2,2-3H3,(H2,17,20)/b12-10-,14-5+
InChIKeyPTAXUJKCNHJRIF-UIZVUTSLSA-N
MW281.38 g/mol
LogP1.46
Rot. Bonds6

About 2-[4-[(3Z,5E)-5-fluoro-3-methylocta-3,5,7-trien-2-yl]piperazin-1-yl]acetamide

2-[4-[(3Z,5E)-5-fluoro-3-methylocta-3,5,7-trien-2-yl]piperazin-1-yl]acetamide (PubChem CID 143566792) has the molecular formula C15H24FN3O and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-[4-[(3Z,5E)-5-fluoro-3-methylocta-3,5,7-trien-2-yl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(3Z,5E)-5-fluoro-3-methylocta-3,5,7-trien-2-yl]piperazin-1-yl]acetamide
PubChem CID143566792
Molecular FormulaC15H24FN3O
Molecular Weight281.38 g/mol
Exact Mass281.19
IUPAC Name2-[4-[(3Z,5E)-5-fluoro-3-methylocta-3,5,7-trien-2-yl]piperazin-1-yl]acetamide
SMILESC=C/C=C(F)\C=C(\C)C(C)N1CCN(CC(N)=O)CC1
InChIInChI=1S/C15H24FN3O/c1-4-5-14(16)10-12(2)13(3)19-8-6-18(7-9-19)11-15(17)20/h4-5,10,13H,1,6-9,11H2,2-3H3,(H2,17,20)/b12-10-,14-5+
InChIKeyPTAXUJKCNHJRIF-UIZVUTSLSA-N
XLogP1.46
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.46
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-[(3Z,5E)-5-fluoro-3-methylocta-3,5,7-trien-2-yl]piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-[(3Z,5E)-5-fluoro-3-methylocta-3,5,7-trien-2-yl]piperazin-1-yl]acetamide (CID 143566792) is 2-[4-[(3Z,5E)-5-fluoro-3-methylocta-3,5,7-trien-2-yl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(3Z,5E)-5-fluoro-3-methylocta-3,5,7-trien-2-yl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(3Z,5E)-5-fluoro-3-methylocta-3,5,7-trien-2-yl]piperazin-1-yl]acetamide is C=C/C=C(F)\C=C(\C)C(C)N1CCN(CC(N)=O)CC1.
What is the InChIKey of 2-[4-[(3Z,5E)-5-fluoro-3-methylocta-3,5,7-trien-2-yl]piperazin-1-yl]acetamide?
The InChIKey is PTAXUJKCNHJRIF-UIZVUTSLSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-4-5-14(16)10-12(2)13(3)19-8-6-18(7-9-19)11-15(17)20/h4-5,10,13H,1,6-9,11H2,2-3H3,(H2,17,20)/b12-10-,14-5+.
What are the key properties of 2-[4-[(3Z,5E)-5-fluoro-3-methylocta-3,5,7-trien-2-yl]piperazin-1-yl]acetamide?
2-[4-[(3Z,5E)-5-fluoro-3-methylocta-3,5,7-trien-2-yl]piperazin-1-yl]acetamide has a molecular weight of 281.38 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3Z,5E)-5-fluoro-3-methylocta-3,5,7-trien-2-yl]piperazin-1-yl]acetamide is sourced from PubChem (CID 143566792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).