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

C22H26N4O2 — CID 108990296

IUPACN-(4-acetamidophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N4O2/c1-18(27)23-20-9-11-21(12-10-20)24-22(28)26-16-14-25(15-17-26)13-5-8-19-6-3-2-4-7-19/h2-12H,13-17H2,1H3,(H,23,27)(H,24,28)/b8-5+
InChIKeyVFGOFWKOOMVTME-VMPITWQZSA-N
MW378.48 g/mol
LogP3.51
Rot. Bonds5

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

N-(4-acetamidophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide (PubChem CID 108990296) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
PubChem CID108990296
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-(4-acetamidophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N4O2/c1-18(27)23-20-9-11-21(12-10-20)24-22(28)26-16-14-25(15-17-26)13-5-8-19-6-3-2-4-7-19/h2-12H,13-17H2,1H3,(H,23,27)(H,24,28)/b8-5+
InChIKeyVFGOFWKOOMVTME-VMPITWQZSA-N
XLogP3.51
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]phenyl]acetamide
CID 18104715
N-(2-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 6466016
1-(4-acetylpiperazin-1-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione
CID 108984484
4-[(E)-3-phenylprop-2-enyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 108990279
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentane-1,4-dione
CID 110374219
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
2-methylsulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 112790630
N-(2-methyl-2-phenylpropyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 113213243
N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]thiophen-2-yl]acetamide
CID 18129572
N-[(4-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide
CID 3805958
2-[[N-methyl-C-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbonimidoyl]amino]-N-phenylacetamide
CID 111218395
N-(2,4-dimethoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 108990292

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide (CID 108990296) is N-(4-acetamidophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide is CC(=O)Nc1ccc(NC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
The InChIKey is VFGOFWKOOMVTME-VMPITWQZSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-18(27)23-20-9-11-21(12-10-20)24-22(28)26-16-14-25(15-17-26)13-5-8-19-6-3-2-4-7-19/h2-12H,13-17H2,1H3,(H,23,27)(H,24,28)/b8-5+.
What are the key properties of N-(4-acetamidophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
N-(4-acetamidophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide is sourced from PubChem (CID 108990296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).