2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-phenylpropanamide

C16H23N3O2 — CID 108960744

IUPAC2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-phenylpropanamide
SMILESCN1CCN(C(=O)C(C)(C)C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C16H23N3O2/c1-16(2,14(20)17-13-7-5-4-6-8-13)15(21)19-11-9-18(3)10-12-19/h4-8H,9-12H2,1-3H3,(H,17,20)
InChIKeyQKAGCDJOVLHRCU-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.43
Rot. Bonds3

About 2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-phenylpropanamide

2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-phenylpropanamide (PubChem CID 108960744) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-phenylpropanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-phenylpropanamide
PubChem CID108960744
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-phenylpropanamide
SMILESCN1CCN(C(=O)C(C)(C)C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C16H23N3O2/c1-16(2,14(20)17-13-7-5-4-6-8-13)15(21)19-11-9-18(3)10-12-19/h4-8H,9-12H2,1-3H3,(H,17,20)
InChIKeyQKAGCDJOVLHRCU-UHFFFAOYSA-N
XLogP1.43
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxopropanoyl]amino]benzoate
CID 108960803
2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide
CID 108960695
N-(4-tert-butylphenyl)-3-(4-formylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108961098
2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-(3,4,5-trimethoxyphenyl)propanamide
CID 108960828
N'-hydroxy-2,2-dimethyl-N-phenylpropanediamide
CID 90850690
3-[4-(2-fluorophenyl)piperazin-1-yl]-2,2-dimethyl-N-(4-methylphenyl)-3-oxopropanamide
CID 108965494
N-(4-anilinophenyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
CID 108517085
3-(4-formylpiperazin-1-yl)-2,2-dimethyl-3-oxo-N-[4-(trifluoromethyl)phenyl]propanamide
CID 108961127
3-(4-acetylpiperazin-1-yl)-N-(3-methoxyphenyl)-2,2-dimethyl-3-oxopropanamide
CID 108961269
3-(4-formylpiperazin-1-yl)-N-(4-methoxyphenyl)-2,2-dimethyl-3-oxopropanamide
CID 108961116
N-(4-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanamide
CID 108964923
3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-N-(3-methylphenyl)-3-oxopropanamide
CID 108960915

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-phenylpropanamide?
The IUPAC name of 2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-phenylpropanamide (CID 108960744) is 2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-phenylpropanamide.
What is the SMILES notation for 2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-phenylpropanamide?
The canonical SMILES for 2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-phenylpropanamide is CN1CCN(C(=O)C(C)(C)C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-phenylpropanamide?
The InChIKey is QKAGCDJOVLHRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-16(2,14(20)17-13-7-5-4-6-8-13)15(21)19-11-9-18(3)10-12-19/h4-8H,9-12H2,1-3H3,(H,17,20).
What are the key properties of 2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-phenylpropanamide?
2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-phenylpropanamide has a molecular weight of 289.38 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-phenylpropanamide is sourced from PubChem (CID 108960744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).