3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-(pyridin-4-ylmethyl)propanamide

C22H28N4O — CID 109023804

IUPAC3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-(pyridin-4-ylmethyl)propanamide
SMILESO=C(CCN1CCN(C/C=C/c2ccccc2)CC1)NCc1ccncc1
InChIInChI=1S/C22H28N4O/c27-22(24-19-21-8-11-23-12-9-21)10-14-26-17-15-25(16-18-26)13-4-7-20-5-2-1-3-6-20/h1-9,11-12H,10,13-19H2,(H,24,27)/b7-4+
InChIKeyZTKCEAVLXUUOIX-QPJJXVBHSA-N
MW364.49 g/mol
LogP2.42
Rot. Bonds8

About 3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-(pyridin-4-ylmethyl)propanamide

3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 109023804) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-(pyridin-4-ylmethyl)propanamide
PubChem CID109023804
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-(pyridin-4-ylmethyl)propanamide
SMILESO=C(CCN1CCN(C/C=C/c2ccccc2)CC1)NCc1ccncc1
InChIInChI=1S/C22H28N4O/c27-22(24-19-21-8-11-23-12-9-21)10-14-26-17-15-25(16-18-26)13-4-7-20-5-2-1-3-6-20/h1-9,11-12H,10,13-19H2,(H,24,27)/b7-4+
InChIKeyZTKCEAVLXUUOIX-QPJJXVBHSA-N
XLogP2.42
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-(pyridin-4-ylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(furan-2-ylmethyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 109018456
N-[(2-methoxyphenyl)methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 109021976
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanoic acid
CID 67280873
N-tert-butyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 109030023
N-[3-(dimethylamino)propyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 109016909
N-(4-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide chloride
CID 53312696
N-(3,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide;hydron;chloride
CID 5389665
N-[(4-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide
CID 3805958
N-benzyl-2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]acetamide
CID 126820137
N-[(4-methylphenyl)methyl]-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108984831
N-[(3-methylphenyl)methyl]-3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 108945570
N-(3,4-difluorophenyl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanamide;hydrochloride
CID 91962017

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-(pyridin-4-ylmethyl)propanamide (CID 109023804) is 3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-(pyridin-4-ylmethyl)propanamide is O=C(CCN1CCN(C/C=C/c2ccccc2)CC1)NCc1ccncc1.
What is the InChIKey of 3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is ZTKCEAVLXUUOIX-QPJJXVBHSA-N. The full InChI is InChI=1S/C22H28N4O/c27-22(24-19-21-8-11-23-12-9-21)10-14-26-17-15-25(16-18-26)13-4-7-20-5-2-1-3-6-20/h1-9,11-12H,10,13-19H2,(H,24,27)/b7-4+.
What are the key properties of 3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-(pyridin-4-ylmethyl)propanamide?
3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 364.49 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 109023804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).