N-(2-hydroxyethyl)-N-methyl-2-[3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]acetamide

C18H25N3O3 — CID 56901443

IUPACN-(2-hydroxyethyl)-N-methyl-2-[3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]acetamide
SMILESCN(CCO)C(=O)CC1C(=O)NCCN1C/C=C/c1ccccc1
InChIInChI=1S/C18H25N3O3/c1-20(12-13-22)17(23)14-16-18(24)19-9-11-21(16)10-5-8-15-6-3-2-4-7-15/h2-8,16,22H,9-14H2,1H3,(H,19,24)/b8-5+
InChIKeyVZFRCZCTTKUVNR-VMPITWQZSA-N
MW331.42 g/mol
LogP0.34
Rot. Bonds7

About N-(2-hydroxyethyl)-N-methyl-2-[3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]acetamide

N-(2-hydroxyethyl)-N-methyl-2-[3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]acetamide (PubChem CID 56901443) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-2-[3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyl-2-[3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]acetamide
PubChem CID56901443
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-(2-hydroxyethyl)-N-methyl-2-[3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]acetamide
SMILESCN(CCO)C(=O)CC1C(=O)NCCN1C/C=C/c1ccccc1
InChIInChI=1S/C18H25N3O3/c1-20(12-13-22)17(23)14-16-18(24)19-9-11-21(16)10-5-8-15-6-3-2-4-7-15/h2-8,16,22H,9-14H2,1H3,(H,19,24)/b8-5+
InChIKeyVZFRCZCTTKUVNR-VMPITWQZSA-N
XLogP0.34
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-hydroxyethyl)-N-methyl-2-[3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyl-2-[3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]acetamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methyl-2-[3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]acetamide (CID 56901443) is N-(2-hydroxyethyl)-N-methyl-2-[3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-2-[3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-2-[3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]acetamide is CN(CCO)C(=O)CC1C(=O)NCCN1C/C=C/c1ccccc1.
What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-2-[3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]acetamide?
The InChIKey is VZFRCZCTTKUVNR-VMPITWQZSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-20(12-13-22)17(23)14-16-18(24)19-9-11-21(16)10-5-8-15-6-3-2-4-7-15/h2-8,16,22H,9-14H2,1H3,(H,19,24)/b8-5+.
What are the key properties of N-(2-hydroxyethyl)-N-methyl-2-[3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]acetamide?
N-(2-hydroxyethyl)-N-methyl-2-[3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]acetamide has a molecular weight of 331.42 g/mol, XLogP of 0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methyl-2-[3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]acetamide is sourced from PubChem (CID 56901443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).