4-[[2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]acetyl]amino]benzamide

C22H26N4O2 — CID 4834495

IUPAC4-[[2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CN2CCN(CC=Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N4O2/c23-22(28)19-8-10-20(11-9-19)24-21(27)17-26-15-13-25(14-16-26)12-4-7-18-5-2-1-3-6-18/h1-11H,12-17H2,(H2,23,28)(H,24,27)
InChIKeyZMWKQWPDRRYLHS-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.06
Rot. Bonds7

About 4-[[2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]acetyl]amino]benzamide

4-[[2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]acetyl]amino]benzamide (PubChem CID 4834495) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-[[2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]acetyl]amino]benzamide
PubChem CID4834495
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name4-[[2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CN2CCN(CC=Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N4O2/c23-22(28)19-8-10-20(11-9-19)24-21(27)17-26-15-13-25(14-16-26)12-4-7-18-5-2-1-3-6-18/h1-11H,12-17H2,(H2,23,28)(H,24,27)
InChIKeyZMWKQWPDRRYLHS-UHFFFAOYSA-N
XLogP2.06
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 6470321
2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 4833078
N-(2,1,3-benzothiadiazol-5-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 17148936
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8544277
N-(4-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide chloride
CID 53312696
4-[[2-[(E)-3-phenylprop-2-enyl]sulfanylacetyl]amino]benzamide
CID 7509862
N-naphthalen-1-yl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8544886
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 108992859
N-[2,6-di(propan-2-yl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8545309
4-[[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 8726217
N-(4-acetamidophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 108990296

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]acetyl]amino]benzamide (CID 4834495) is 4-[[2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]acetyl]amino]benzamide is NC(=O)c1ccc(NC(=O)CN2CCN(CC=Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-[[2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]acetyl]amino]benzamide?
The InChIKey is ZMWKQWPDRRYLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c23-22(28)19-8-10-20(11-9-19)24-21(27)17-26-15-13-25(14-16-26)12-4-7-18-5-2-1-3-6-18/h1-11H,12-17H2,(H2,23,28)(H,24,27).
What are the key properties of 4-[[2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]acetyl]amino]benzamide?
4-[[2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]acetyl]amino]benzamide has a molecular weight of 378.48 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 4834495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).