N-(4-acetylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide

C19H20FN3O2 — CID 113114224

IUPACN-(4-acetylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCN(c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C19H20FN3O2/c1-14(24)15-5-7-17(8-6-15)21-19(25)23-11-9-22(10-12-23)18-4-2-3-16(20)13-18/h2-8,13H,9-12H2,1H3,(H,21,25)
InChIKeyIZRCYOHGJSVARZ-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.38
Rot. Bonds3

About N-(4-acetylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide

N-(4-acetylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide (PubChem CID 113114224) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
PubChem CID113114224
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC NameN-(4-acetylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCN(c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C19H20FN3O2/c1-14(24)15-5-7-17(8-6-15)21-19(25)23-11-9-22(10-12-23)18-4-2-3-16(20)13-18/h2-8,13H,9-12H2,1H3,(H,21,25)
InChIKeyIZRCYOHGJSVARZ-UHFFFAOYSA-N
XLogP3.38
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]piperazine-1-carboxamide
CID 113114501
N-(4-ethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113113781
N-(4-acetylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113114241
N-(3-bromo-4-methylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113113496
4-(3-acetylphenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113114133
4-(3-fluorophenyl)-N-thiophen-3-ylpiperazine-1-carboxamide
CID 136559164
N-(4-acetylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86920409
4-(4-acetylphenyl)-N-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113114215
methyl 3-[4-[(4-acetamidophenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113114297
4-(3,4-dimethylphenyl)-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 113111648
4-(4-acetylphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2210407
N-(4-acetylphenyl)-4-(2,6-diethylphenyl)piperazine-1-carboxamide
CID 113112497

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide (CID 113114224) is N-(4-acetylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide is CC(=O)c1ccc(NC(=O)N2CCN(c3cccc(F)c3)CC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is IZRCYOHGJSVARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-14(24)15-5-7-17(8-6-15)21-19(25)23-11-9-22(10-12-23)18-4-2-3-16(20)13-18/h2-8,13H,9-12H2,1H3,(H,21,25).
What are the key properties of N-(4-acetylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide?
N-(4-acetylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113114224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).