2-[(2R)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]-N-(3-pyridin-3-ylpropyl)acetamide

C23H28N4O2 — CID 42457515

IUPAC2-[(2R)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]-N-(3-pyridin-3-ylpropyl)acetamide
SMILESO=C(C[C@@H]1C(=O)NCCN1C/C=C/c1ccccc1)NCCCc1cccnc1
InChIInChI=1S/C23H28N4O2/c28-22(25-13-5-10-20-9-4-12-24-18-20)17-21-23(29)26-14-16-27(21)15-6-11-19-7-2-1-3-8-19/h1-4,6-9,11-12,18,21H,5,10,13-17H2,(H,25,28)(H,26,29)/b11-6+/t21-/m1/s1
InChIKeyIOOMRHDVKBRHAE-VWMRQFFHSA-N
MW392.50 g/mol
LogP2.03
Rot. Bonds9

About 2-[(2R)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]-N-(3-pyridin-3-ylpropyl)acetamide

2-[(2R)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]-N-(3-pyridin-3-ylpropyl)acetamide (PubChem CID 42457515) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-[(2R)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]-N-(3-pyridin-3-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]-N-(3-pyridin-3-ylpropyl)acetamide
PubChem CID42457515
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name2-[(2R)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]-N-(3-pyridin-3-ylpropyl)acetamide
SMILESO=C(C[C@@H]1C(=O)NCCN1C/C=C/c1ccccc1)NCCCc1cccnc1
InChIInChI=1S/C23H28N4O2/c28-22(25-13-5-10-20-9-4-12-24-18-20)17-21-23(29)26-14-16-27(21)15-6-11-19-7-2-1-3-8-19/h1-4,6-9,11-12,18,21H,5,10,13-17H2,(H,25,28)(H,26,29)/b11-6+/t21-/m1/s1
InChIKeyIOOMRHDVKBRHAE-VWMRQFFHSA-N
XLogP2.03
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]-N-(3-pyridin-3-ylpropyl)acetamide
CID 45243840
N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-[3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]acetamide
CID 45190319
2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-(3-phenylpropyl)acetamide
CID 42189085
N-[2-(methylamino)-2-oxoethyl]-2-[(2S)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]acetamide
CID 95721162
2-[3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]-N-(3-pyridin-3-ylpropyl)acetamide
CID 45211424
N-[2-(1H-indol-3-yl)ethyl]-2-[(2S)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]acetamide
CID 42117477
2-[(2R)-3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]acetamide
CID 95729260
2-(1-benzyl-3-oxopiperazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 45206372
2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(2-pyridin-3-yloxyethyl)acetamide
CID 42198802
2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(3-phenylpropyl)acetamide
CID 45174392
2-[3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 45192808
2-[1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(3-phenylpropyl)acetamide
CID 45224138

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]-N-(3-pyridin-3-ylpropyl)acetamide?
The IUPAC name of 2-[(2R)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]-N-(3-pyridin-3-ylpropyl)acetamide (CID 42457515) is 2-[(2R)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]-N-(3-pyridin-3-ylpropyl)acetamide.
What is the SMILES notation for 2-[(2R)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]-N-(3-pyridin-3-ylpropyl)acetamide?
The canonical SMILES for 2-[(2R)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]-N-(3-pyridin-3-ylpropyl)acetamide is O=C(C[C@@H]1C(=O)NCCN1C/C=C/c1ccccc1)NCCCc1cccnc1.
What is the InChIKey of 2-[(2R)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]-N-(3-pyridin-3-ylpropyl)acetamide?
The InChIKey is IOOMRHDVKBRHAE-VWMRQFFHSA-N. The full InChI is InChI=1S/C23H28N4O2/c28-22(25-13-5-10-20-9-4-12-24-18-20)17-21-23(29)26-14-16-27(21)15-6-11-19-7-2-1-3-8-19/h1-4,6-9,11-12,18,21H,5,10,13-17H2,(H,25,28)(H,26,29)/b11-6+/t21-/m1/s1.
What are the key properties of 2-[(2R)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]-N-(3-pyridin-3-ylpropyl)acetamide?
2-[(2R)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]-N-(3-pyridin-3-ylpropyl)acetamide has a molecular weight of 392.50 g/mol, XLogP of 2.03, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]-N-(3-pyridin-3-ylpropyl)acetamide is sourced from PubChem (CID 42457515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).