N-(2-methylpropyl)-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide

C19H27N3O2 — CID 108983973

IUPACN-(2-methylpropyl)-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
SMILESCC(C)CNC(=O)C(=O)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C19H27N3O2/c1-16(2)15-20-18(23)19(24)22-13-11-21(12-14-22)10-6-9-17-7-4-3-5-8-17/h3-9,16H,10-15H2,1-2H3,(H,20,23)/b9-6+
InChIKeyNBIPFZUFYFYKMM-RMKNXTFCSA-N
MW329.44 g/mol
LogP1.62
Rot. Bonds5

About N-(2-methylpropyl)-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide

N-(2-methylpropyl)-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide (PubChem CID 108983973) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
PubChem CID108983973
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-(2-methylpropyl)-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
SMILESCC(C)CNC(=O)C(=O)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C19H27N3O2/c1-16(2)15-20-18(23)19(24)22-13-11-21(12-14-22)10-6-9-17-7-4-3-5-8-17/h3-9,16H,10-15H2,1-2H3,(H,20,23)/b9-6+
InChIKeyNBIPFZUFYFYKMM-RMKNXTFCSA-N
XLogP1.62
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-methylpropyl)-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-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

Related Compounds

N-tert-butyl-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108986110
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
2-oxo-N-(2-phenylethyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108985123
1-(4-acetylpiperazin-1-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione
CID 108984484
N-[(4-methylphenyl)methyl]-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108984831
N-(2-ethylphenyl)-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108986132
3-hydroxy-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]butan-1-one
CID 71393433
2-cyclopropyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 110414400
N-[2-(4-fluorophenyl)ethyl]-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108985311
2-methylsulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 112790630
[6-(2-methylpropylamino)-3-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 109151821
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentane-1,4-dione
CID 110374219

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-methylpropyl)-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide (CID 108983973) is N-(2-methylpropyl)-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide is CC(C)CNC(=O)C(=O)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of N-(2-methylpropyl)-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
The InChIKey is NBIPFZUFYFYKMM-RMKNXTFCSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-16(2)15-20-18(23)19(24)22-13-11-21(12-14-22)10-6-9-17-7-4-3-5-8-17/h3-9,16H,10-15H2,1-2H3,(H,20,23)/b9-6+.
What are the key properties of N-(2-methylpropyl)-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
N-(2-methylpropyl)-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide has a molecular weight of 329.44 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 108983973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).