N-(4-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide

C15H20FN3O — CID 8719101

IUPACN-(4-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide
SMILESC=CCN1CCN(CC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C15H20FN3O/c1-2-7-18-8-10-19(11-9-18)12-15(20)17-14-5-3-13(16)4-6-14/h2-6H,1,7-12H2,(H,17,20)
InChIKeyLNUIRUFRZSZBRI-UHFFFAOYSA-N
MW277.34 g/mol
LogP1.57
Rot. Bonds5

About N-(4-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide

N-(4-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide (PubChem CID 8719101) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide
PubChem CID8719101
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC NameN-(4-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide
SMILESC=CCN1CCN(CC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C15H20FN3O/c1-2-7-18-8-10-19(11-9-18)12-15(20)17-14-5-3-13(16)4-6-14/h2-6H,1,7-12H2,(H,17,20)
InChIKeyLNUIRUFRZSZBRI-UHFFFAOYSA-N
XLogP1.57
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide
CID 8711083
N-(4-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 6470321
2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 847262
N-(4-fluorophenyl)-2-[4-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8719254
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 29166416
N-(4-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 1142120
N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60967333
N-(4-fluorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide
CID 1091485
N-(4-ethylphenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195926
2-(4-cyclopropylsulfonylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 155980857
(2S)-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 9435992
N-(4-fluorophenyl)-2-[4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9435872

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide (CID 8719101) is N-(4-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide is C=CCN1CCN(CC(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide?
The InChIKey is LNUIRUFRZSZBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-2-7-18-8-10-19(11-9-18)12-15(20)17-14-5-3-13(16)4-6-14/h2-6H,1,7-12H2,(H,17,20).
What are the key properties of N-(4-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide?
N-(4-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide has a molecular weight of 277.34 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide is sourced from PubChem (CID 8719101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).