N-[1-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienoyl]piperidin-4-yl]acetamide

C14H19FN2O2 — CID 142266400

IUPACN-[1-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienoyl]piperidin-4-yl]acetamide
SMILESC=C/C=C(\C(=C)F)C(=O)N1CCC(NC(C)=O)CC1
InChIInChI=1S/C14H19FN2O2/c1-4-5-13(10(2)15)14(19)17-8-6-12(7-9-17)16-11(3)18/h4-5,12H,1-2,6-9H2,3H3,(H,16,18)/b13-5+
InChIKeyZEMCQOSPXVTZMC-WLRTZDKTSA-N
MW266.32 g/mol
LogP1.71
Rot. Bonds4

About N-[1-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienoyl]piperidin-4-yl]acetamide

N-[1-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienoyl]piperidin-4-yl]acetamide (PubChem CID 142266400) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is N-[1-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienoyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienoyl]piperidin-4-yl]acetamide
PubChem CID142266400
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC NameN-[1-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienoyl]piperidin-4-yl]acetamide
SMILESC=C/C=C(\C(=C)F)C(=O)N1CCC(NC(C)=O)CC1
InChIInChI=1S/C14H19FN2O2/c1-4-5-13(10(2)15)14(19)17-8-6-12(7-9-17)16-11(3)18/h4-5,12H,1-2,6-9H2,3H3,(H,16,18)/b13-5+
InChIKeyZEMCQOSPXVTZMC-WLRTZDKTSA-N
XLogP1.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienoyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienoyl]piperidin-4-yl]acetamide (CID 142266400) is N-[1-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienoyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienoyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienoyl]piperidin-4-yl]acetamide is C=C/C=C(\C(=C)F)C(=O)N1CCC(NC(C)=O)CC1.
What is the InChIKey of N-[1-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienoyl]piperidin-4-yl]acetamide?
The InChIKey is ZEMCQOSPXVTZMC-WLRTZDKTSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-4-5-13(10(2)15)14(19)17-8-6-12(7-9-17)16-11(3)18/h4-5,12H,1-2,6-9H2,3H3,(H,16,18)/b13-5+.
What are the key properties of N-[1-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienoyl]piperidin-4-yl]acetamide?
N-[1-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienoyl]piperidin-4-yl]acetamide has a molecular weight of 266.32 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienoyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 142266400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).