4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N-prop-2-enylbutanamide

C17H22FN3O2 — CID 3326442

IUPAC4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)CCC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H22FN3O2/c1-2-9-19-16(22)7-8-17(23)21-12-10-20(11-13-21)15-5-3-14(18)4-6-15/h2-6H,1,7-13H2,(H,19,22)
InChIKeyJKPHVZMOUAANEX-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.56
Rot. Bonds6

About 4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N-prop-2-enylbutanamide

4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N-prop-2-enylbutanamide (PubChem CID 3326442) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N-prop-2-enylbutanamide
PubChem CID3326442
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)CCC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H22FN3O2/c1-2-9-19-16(22)7-8-17(23)21-12-10-20(11-13-21)15-5-3-14(18)4-6-15/h2-6H,1,7-13H2,(H,19,22)
InChIKeyJKPHVZMOUAANEX-UHFFFAOYSA-N
XLogP1.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.56
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-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentanamide
CID 7329126
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-4-(methylamino)butanamide
CID 119858786
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
CID 9081569
4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N'-(3-phenylpropanoyl)butanehydrazide
CID 3622193
4-bromo-N'-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanoyl]benzohydrazide
CID 3304231
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-prop-2-enylpyridine-3-carboxamide
CID 109101767
3-(ethylamino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 62832473
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-prop-2-enylpyrimidine-5-carboxamide
CID 109247702
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanenitrile
CID 82121619
1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one
CID 591294
1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one
CID 4161880

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N-prop-2-enylbutanamide?
The IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N-prop-2-enylbutanamide (CID 3326442) is 4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N-prop-2-enylbutanamide.
What is the SMILES notation for 4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N-prop-2-enylbutanamide?
The canonical SMILES for 4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N-prop-2-enylbutanamide is C=CCNC(=O)CCC(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N-prop-2-enylbutanamide?
The InChIKey is JKPHVZMOUAANEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-2-9-19-16(22)7-8-17(23)21-12-10-20(11-13-21)15-5-3-14(18)4-6-15/h2-6H,1,7-13H2,(H,19,22).
What are the key properties of 4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N-prop-2-enylbutanamide?
4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N-prop-2-enylbutanamide has a molecular weight of 319.38 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N-prop-2-enylbutanamide is sourced from PubChem (CID 3326442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).