2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide

C21H32N4O2 — CID 108507340

IUPAC2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide
SMILESCc1cccc(N2CCN(C(=O)C(=O)N(C)C3CCN(C)CC3)CC2)c1C
InChIInChI=1S/C21H32N4O2/c1-16-6-5-7-19(17(16)2)24-12-14-25(15-13-24)21(27)20(26)23(4)18-8-10-22(3)11-9-18/h5-7,18H,8-15H2,1-4H3
InChIKeyJQICJPGFUSANRY-UHFFFAOYSA-N
MW372.51 g/mol
LogP1.50
Rot. Bonds2

About 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide

2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide (PubChem CID 108507340) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide
PubChem CID108507340
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide
SMILESCc1cccc(N2CCN(C(=O)C(=O)N(C)C3CCN(C)CC3)CC2)c1C
InChIInChI=1S/C21H32N4O2/c1-16-6-5-7-19(17(16)2)24-12-14-25(15-13-24)21(27)20(26)23(4)18-8-10-22(3)11-9-18/h5-7,18H,8-15H2,1-4H3
InChIKeyJQICJPGFUSANRY-UHFFFAOYSA-N
XLogP1.50
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide
CID 108521011
1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetyl]piperidine-4-carboxamide
CID 108532094
4-(2,3-dimethylphenyl)-N,N-diphenylpiperazine-1-carboxamide
CID 1305709
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108531669
N-(cyclopropylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 25349553
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(1-methylpyrrol-2-yl)ethane-1,2-dione
CID 53123920
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108530720
N-(cyclopentylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 108902650
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 93266197
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 897293
trans-(1S,2S)-2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 753081
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide?
The IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide (CID 108507340) is 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide.
What is the SMILES notation for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide?
The canonical SMILES for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide is Cc1cccc(N2CCN(C(=O)C(=O)N(C)C3CCN(C)CC3)CC2)c1C.
What is the InChIKey of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide?
The InChIKey is JQICJPGFUSANRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-16-6-5-7-19(17(16)2)24-12-14-25(15-13-24)21(27)20(26)23(4)18-8-10-22(3)11-9-18/h5-7,18H,8-15H2,1-4H3.
What are the key properties of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide?
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide has a molecular weight of 372.51 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide is sourced from PubChem (CID 108507340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).