(E)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)but-2-enamide

C22H27N3O2 — CID 1482645

IUPAC(E)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)but-2-enamide
SMILESCOc1ccccc1N1CCN(/C(C)=C/C(=O)Nc2ccccc2C)CC1
InChIInChI=1S/C22H27N3O2/c1-17-8-4-5-9-19(17)23-22(26)16-18(2)24-12-14-25(15-13-24)20-10-6-7-11-21(20)27-3/h4-11,16H,12-15H2,1-3H3,(H,23,26)/b18-16+
InChIKeyVHHDIPYTOANDBA-FBMGVBCBSA-N
MW365.48 g/mol
LogP3.67
Rot. Bonds5

About (E)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)but-2-enamide

(E)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)but-2-enamide (PubChem CID 1482645) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (E)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)but-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)but-2-enamide
PubChem CID1482645
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(E)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)but-2-enamide
SMILESCOc1ccccc1N1CCN(/C(C)=C/C(=O)Nc2ccccc2C)CC1
InChIInChI=1S/C22H27N3O2/c1-17-8-4-5-9-19(17)23-22(26)16-18(2)24-12-14-25(15-13-24)20-10-6-7-11-21(20)27-3/h4-11,16H,12-15H2,1-3H3,(H,23,26)/b18-16+
InChIKeyVHHDIPYTOANDBA-FBMGVBCBSA-N
XLogP3.67
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(2-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carbothioamide
CID 797346
N-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 1108322
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108530720
3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylphenyl)propanamide
CID 7460118
4-(2-methoxyphenyl)-N-prop-1-en-2-ylpiperazine-1-carboxamide
CID 108910374
N-[2-(dimethylamino)phenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 71941690
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
methyl 2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113111137
2-(2,5-dimethylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 109004130
N-[(2,3-dimethylphenyl)carbamoyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 9249225
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
3-(2,6-dimethylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109029461

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)but-2-enamide?
The IUPAC name of (E)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)but-2-enamide (CID 1482645) is (E)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)but-2-enamide.
What is the SMILES notation for (E)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)but-2-enamide?
The canonical SMILES for (E)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)but-2-enamide is COc1ccccc1N1CCN(/C(C)=C/C(=O)Nc2ccccc2C)CC1.
What is the InChIKey of (E)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)but-2-enamide?
The InChIKey is VHHDIPYTOANDBA-FBMGVBCBSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-17-8-4-5-9-19(17)23-22(26)16-18(2)24-12-14-25(15-13-24)20-10-6-7-11-21(20)27-3/h4-11,16H,12-15H2,1-3H3,(H,23,26)/b18-16+.
What are the key properties of (E)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)but-2-enamide?
(E)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)but-2-enamide has a molecular weight of 365.48 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)but-2-enamide is sourced from PubChem (CID 1482645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).