2-[4-(2-methylpropanoyl)-2-phenylpiperazin-1-yl]-2-oxoacetamide

C16H21N3O3 — CID 169115911

IUPAC2-[4-(2-methylpropanoyl)-2-phenylpiperazin-1-yl]-2-oxoacetamide
SMILESCC(C)C(=O)N1CCN(C(=O)C(N)=O)C(c2ccccc2)C1
InChIInChI=1S/C16H21N3O3/c1-11(2)15(21)18-8-9-19(16(22)14(17)20)13(10-18)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H2,17,20)
InChIKeyOJOQWUOYFXRTDS-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.54
Rot. Bonds2

About 2-[4-(2-methylpropanoyl)-2-phenylpiperazin-1-yl]-2-oxoacetamide

2-[4-(2-methylpropanoyl)-2-phenylpiperazin-1-yl]-2-oxoacetamide (PubChem CID 169115911) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-[4-(2-methylpropanoyl)-2-phenylpiperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-(2-methylpropanoyl)-2-phenylpiperazin-1-yl]-2-oxoacetamide
PubChem CID169115911
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-[4-(2-methylpropanoyl)-2-phenylpiperazin-1-yl]-2-oxoacetamide
SMILESCC(C)C(=O)N1CCN(C(=O)C(N)=O)C(c2ccccc2)C1
InChIInChI=1S/C16H21N3O3/c1-11(2)15(21)18-8-9-19(16(22)14(17)20)13(10-18)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H2,17,20)
InChIKeyOJOQWUOYFXRTDS-UHFFFAOYSA-N
XLogP0.54
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-(2-methylpropanoyl)-2-phenylpiperazin-1-yl]-2-oxoacetamide 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

tert-butyl 4-oxamoyl-3-phenylpiperazine-1-carboxylate
CID 169115760
2-[(2S,5R)-4,5-dimethyl-2-phenylpiperazin-1-yl]-2-oxoacetamide
CID 169115432
(2R)-2-amino-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
CID 54991398
2-[(2S,5R)-4-acetyl-5-methyl-2-phenylpiperazin-1-yl]-2-oxoacetamide
CID 169115456
2-methyl-1-(3-phenylazepan-1-yl)propan-1-one
CID 90608399
2-methoxy-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
CID 112685654
1-[4-(2-methylbenzoyl)-2-phenylpiperazin-1-yl]ethanone
CID 110109594
(10bS)-2-(2-methylpropanoyl)-1,3,4,10b-tetrahydropyrazino[1,2-b]isoindol-6-one;hydrochloride
CID 155856479
1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 124964959
2-phenylaziridine-1-carboxylic acid
CID 87708946
1-[(2S)-4-acetyl-2-phenylpiperazin-1-yl]-3-methoxypropan-1-one
CID 125013501
1-[(2S)-4-(1-methylpiperidine-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone
CID 124972769

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropanoyl)-2-phenylpiperazin-1-yl]-2-oxoacetamide?
The IUPAC name of 2-[4-(2-methylpropanoyl)-2-phenylpiperazin-1-yl]-2-oxoacetamide (CID 169115911) is 2-[4-(2-methylpropanoyl)-2-phenylpiperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[4-(2-methylpropanoyl)-2-phenylpiperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for 2-[4-(2-methylpropanoyl)-2-phenylpiperazin-1-yl]-2-oxoacetamide is CC(C)C(=O)N1CCN(C(=O)C(N)=O)C(c2ccccc2)C1.
What is the InChIKey of 2-[4-(2-methylpropanoyl)-2-phenylpiperazin-1-yl]-2-oxoacetamide?
The InChIKey is OJOQWUOYFXRTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11(2)15(21)18-8-9-19(16(22)14(17)20)13(10-18)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H2,17,20).
What are the key properties of 2-[4-(2-methylpropanoyl)-2-phenylpiperazin-1-yl]-2-oxoacetamide?
2-[4-(2-methylpropanoyl)-2-phenylpiperazin-1-yl]-2-oxoacetamide has a molecular weight of 303.36 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropanoyl)-2-phenylpiperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 169115911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).