4-(2-fluorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide

C19H20FN3O — CID 108903368

IUPAC4-(2-fluorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide
SMILESO=C(N/C=C/c1ccccc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H20FN3O/c20-17-8-4-5-9-18(17)22-12-14-23(15-13-22)19(24)21-11-10-16-6-2-1-3-7-16/h1-11H,12-15H2,(H,21,24)/b11-10+
InChIKeyFUBIPLIIRKIHOV-ZHACJKMWSA-N
MW325.39 g/mol
LogP3.33
Rot. Bonds3

About 4-(2-fluorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide

4-(2-fluorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide (PubChem CID 108903368) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide
PubChem CID108903368
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name4-(2-fluorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide
SMILESO=C(N/C=C/c1ccccc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H20FN3O/c20-17-8-4-5-9-18(17)22-12-14-23(15-13-22)19(24)21-11-10-16-6-2-1-3-7-16/h1-11H,12-15H2,(H,21,24)/b11-10+
InChIKeyFUBIPLIIRKIHOV-ZHACJKMWSA-N
XLogP3.33
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-fluorophenyl)-N-[(E)-2-(4-fluorophenyl)ethenyl]piperazine-1-carboxamide
CID 108908210
N-benzhydryl-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 108867571
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 40726915
N-[(E)-2-(4-bromophenyl)ethenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 108908901
4-(2-fluorophenyl)-N-methoxypiperazine-1-carboxamide
CID 47139754
4-(2-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 27534631
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 108532363
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 108521142
N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4069653
N-[(E)-2-(2-fluorophenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108904506
N-[(E)-2-(4-fluorophenyl)ethenyl]azepane-1-carboxamide
CID 108908063
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-fluorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide (CID 108903368) is 4-(2-fluorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-fluorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide is O=C(N/C=C/c1ccccc1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 4-(2-fluorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide?
The InChIKey is FUBIPLIIRKIHOV-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H20FN3O/c20-17-8-4-5-9-18(17)22-12-14-23(15-13-22)19(24)21-11-10-16-6-2-1-3-7-16/h1-11H,12-15H2,(H,21,24)/b11-10+.
What are the key properties of 4-(2-fluorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide?
4-(2-fluorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide has a molecular weight of 325.39 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide is sourced from PubChem (CID 108903368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).