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

C20H22FN3O — CID 6466016

IUPACN-(2-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1F)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C20H22FN3O/c21-18-10-4-5-11-19(18)22-20(25)24-15-13-23(14-16-24)12-6-9-17-7-2-1-3-8-17/h1-11H,12-16H2,(H,22,25)/b9-6+
InChIKeyVNLLFUMHKHKSGH-RMKNXTFCSA-N
MW339.41 g/mol
LogP3.69
Rot. Bonds4

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

N-(2-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide (PubChem CID 6466016) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
PubChem CID6466016
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC NameN-(2-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1F)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C20H22FN3O/c21-18-10-4-5-11-19(18)22-20(25)24-15-13-23(14-16-24)12-6-9-17-7-2-1-3-8-17/h1-11H,12-16H2,(H,22,25)/b9-6+
InChIKeyVNLLFUMHKHKSGH-RMKNXTFCSA-N
XLogP3.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(E)-3-phenylprop-2-enyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 108990279
N-(2-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 51168075
N-(4-acetamidophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 108990296
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
N-(2,4-dimethoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 108990292
2-(2-fluorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 112977261
2-(2-fluorophenyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide
CID 112994571
N-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110111
N-(2-ethylphenyl)-3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 108950759
N-(2-fluorophenyl)-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboxamide
CID 62885016
N-(2-ethylphenyl)-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108986132
2-methylsulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 112790630

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide (CID 6466016) is N-(2-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide is O=C(Nc1ccccc1F)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of N-(2-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
The InChIKey is VNLLFUMHKHKSGH-RMKNXTFCSA-N. The full InChI is InChI=1S/C20H22FN3O/c21-18-10-4-5-11-19(18)22-20(25)24-15-13-23(14-16-24)12-6-9-17-7-2-1-3-8-17/h1-11H,12-16H2,(H,22,25)/b9-6+.
What are the key properties of N-(2-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
N-(2-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide has a molecular weight of 339.41 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide is sourced from PubChem (CID 6466016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).