2-[4-[(E)-but-2-enoyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide

C16H20FN3O2 — CID 9020095

IUPAC2-[4-[(E)-but-2-enoyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
SMILESC/C=C/C(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C16H20FN3O2/c1-2-4-16(22)20-9-7-19(8-10-20)12-15(21)18-14-6-3-5-13(17)11-14/h2-6,11H,7-10,12H2,1H3,(H,18,21)/b4-2+
InChIKeyPZDDAVAEKMVXEE-DUXPYHPUSA-N
MW305.35 g/mol
LogP1.48
Rot. Bonds4

About 2-[4-[(E)-but-2-enoyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide

2-[4-[(E)-but-2-enoyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide (PubChem CID 9020095) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is 2-[4-[(E)-but-2-enoyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(E)-but-2-enoyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
PubChem CID9020095
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name2-[4-[(E)-but-2-enoyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
SMILESC/C=C/C(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C16H20FN3O2/c1-2-4-16(22)20-9-7-19(8-10-20)12-15(21)18-14-6-3-5-13(17)11-14/h2-6,11H,7-10,12H2,1H3,(H,18,21)/b4-2+
InChIKeyPZDDAVAEKMVXEE-DUXPYHPUSA-N
XLogP1.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluorophenyl)-2-[4-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]piperazin-1-yl]acetamide
CID 9020377
ethyl 4-[2-(3-fluoroanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 2654273
N-(3-fluorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 27855792
N-(3-fluorophenyl)-2-[4-[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]piperazin-1-yl]acetamide
CID 9020299
4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17397265
N-(3-fluorophenyl)-2-[4-(3-methylbut-2-enyl)piperazin-1-yl]acetamide
CID 8690682
N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
CID 17449744
N-(3-fluorophenyl)-2-[4-[(E)-3-(2-nitrophenyl)prop-2-enoyl]piperazin-1-yl]acetamide
CID 9020153
N-(3-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide
CID 8711083
N-(3-fluorophenyl)-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 8558075
N-(3-fluorophenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 9020103
2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 9020123

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-but-2-enoyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[4-[(E)-but-2-enoyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide (CID 9020095) is 2-[4-[(E)-but-2-enoyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-[(E)-but-2-enoyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-[(E)-but-2-enoyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide is C/C=C/C(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of 2-[4-[(E)-but-2-enoyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide?
The InChIKey is PZDDAVAEKMVXEE-DUXPYHPUSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-2-4-16(22)20-9-7-19(8-10-20)12-15(21)18-14-6-3-5-13(17)11-14/h2-6,11H,7-10,12H2,1H3,(H,18,21)/b4-2+.
What are the key properties of 2-[4-[(E)-but-2-enoyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide?
2-[4-[(E)-but-2-enoyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide has a molecular weight of 305.35 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-but-2-enoyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 9020095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).