N-[(E)-2,3-dimethylbut-1-enyl]-4-(4-fluorophenyl)piperazine-1-carboxamide

C17H24FN3O — CID 108914650

IUPACN-[(E)-2,3-dimethylbut-1-enyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
SMILESC/C(=C\NC(=O)N1CCN(c2ccc(F)cc2)CC1)C(C)C
InChIInChI=1S/C17H24FN3O/c1-13(2)14(3)12-19-17(22)21-10-8-20(9-11-21)16-6-4-15(18)5-7-16/h4-7,12-13H,8-11H2,1-3H3,(H,19,22)/b14-12+
InChIKeyFYQODXAZIZSLED-WYMLVPIESA-N
MW305.40 g/mol
LogP3.22
Rot. Bonds3

About N-[(E)-2,3-dimethylbut-1-enyl]-4-(4-fluorophenyl)piperazine-1-carboxamide

N-[(E)-2,3-dimethylbut-1-enyl]-4-(4-fluorophenyl)piperazine-1-carboxamide (PubChem CID 108914650) has the molecular formula C17H24FN3O and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[(E)-2,3-dimethylbut-1-enyl]-4-(4-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-2,3-dimethylbut-1-enyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
PubChem CID108914650
Molecular FormulaC17H24FN3O
Molecular Weight305.40 g/mol
Exact Mass305.19
IUPAC NameN-[(E)-2,3-dimethylbut-1-enyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
SMILESC/C(=C\NC(=O)N1CCN(c2ccc(F)cc2)CC1)C(C)C
InChIInChI=1S/C17H24FN3O/c1-13(2)14(3)12-19-17(22)21-10-8-20(9-11-21)16-6-4-15(18)5-7-16/h4-7,12-13H,8-11H2,1-3H3,(H,19,22)/b14-12+
InChIKeyFYQODXAZIZSLED-WYMLVPIESA-N
XLogP3.22
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(E)-but-1-enyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 108910602
4-(4-fluorophenyl)-N-(3-oxobutyl)piperazine-1-carboxamide
CID 108895046
4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazine-1-carboxamide
CID 52900769
4-(4-fluorophenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazine-1-carboxamide
CID 53370215
1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508298
2-bromo-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 58778042
4-benzhydryl-N-[(E)-2,3-dimethylbut-1-enyl]piperazine-1-carboxamide
CID 108914590
4-(4-fluorophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]piperazine-1-carboxamide
CID 47041624
N-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 47127339
(2R)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827512
4-(4-fluorophenyl)-N-(2-methoxyethoxymethyl)piperazine-1-carboxamide
CID 108894345
N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 56762711

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2,3-dimethylbut-1-enyl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-[(E)-2,3-dimethylbut-1-enyl]-4-(4-fluorophenyl)piperazine-1-carboxamide (CID 108914650) is N-[(E)-2,3-dimethylbut-1-enyl]-4-(4-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(E)-2,3-dimethylbut-1-enyl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(E)-2,3-dimethylbut-1-enyl]-4-(4-fluorophenyl)piperazine-1-carboxamide is C/C(=C\NC(=O)N1CCN(c2ccc(F)cc2)CC1)C(C)C.
What is the InChIKey of N-[(E)-2,3-dimethylbut-1-enyl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is FYQODXAZIZSLED-WYMLVPIESA-N. The full InChI is InChI=1S/C17H24FN3O/c1-13(2)14(3)12-19-17(22)21-10-8-20(9-11-21)16-6-4-15(18)5-7-16/h4-7,12-13H,8-11H2,1-3H3,(H,19,22)/b14-12+.
What are the key properties of N-[(E)-2,3-dimethylbut-1-enyl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
N-[(E)-2,3-dimethylbut-1-enyl]-4-(4-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2,3-dimethylbut-1-enyl]-4-(4-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 108914650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).