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

C20H24N4O2 — CID 108532336

IUPAC2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(4-methyl-2-pyridinyl)-2-oxoacetamide
SMILESCc1ccnc(NC(=O)C(=O)N2CCN(c3cccc(C)c3C)CC2)c1
InChIInChI=1S/C20H24N4O2/c1-14-7-8-21-18(13-14)22-19(25)20(26)24-11-9-23(10-12-24)17-6-4-5-15(2)16(17)3/h4-8,13H,9-12H2,1-3H3,(H,21,22,25)
InChIKeyMSQMDUQPHWCPJO-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.29
Rot. Bonds2

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

2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(4-methyl-2-pyridinyl)-2-oxoacetamide (PubChem CID 108532336) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(4-methyl-2-pyridinyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(4-methyl-2-pyridinyl)-2-oxoacetamide
PubChem CID108532336
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(4-methyl-2-pyridinyl)-2-oxoacetamide
SMILESCc1ccnc(NC(=O)C(=O)N2CCN(c3cccc(C)c3C)CC2)c1
InChIInChI=1S/C20H24N4O2/c1-14-7-8-21-18(13-14)22-19(25)20(26)24-11-9-23(10-12-24)17-6-4-5-15(2)16(17)3/h4-8,13H,9-12H2,1-3H3,(H,21,22,25)
InChIKeyMSQMDUQPHWCPJO-UHFFFAOYSA-N
XLogP2.29
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
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-methoxyphenyl)piperazin-1-yl]-N-(4-methyl-2-pyridinyl)-2-oxoacetamide
CID 108530730
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108531669
N-(2,3-dichlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108500858
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1H-indazol-6-yl)-2-oxoacetamide
CID 108530132
[2-(butan-2-ylamino)-4-pyridinyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 109165914
(2-amino-4-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 110854415
N-(2-butan-2-ylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108532341
4-(2,3-dimethylphenyl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 108812009
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(3-methylbutylamino)-4-pyridinyl]methanone
CID 109174427
(E)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(3-methylphenyl)prop-2-en-1-one
CID 9155205
2-(2,5-dimethylphenoxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 2709451
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methanone
CID 109216089

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(4-methyl-2-pyridinyl)-2-oxoacetamide?
The IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(4-methyl-2-pyridinyl)-2-oxoacetamide (CID 108532336) is 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(4-methyl-2-pyridinyl)-2-oxoacetamide.
What is the SMILES notation for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(4-methyl-2-pyridinyl)-2-oxoacetamide?
The canonical SMILES for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(4-methyl-2-pyridinyl)-2-oxoacetamide is Cc1ccnc(NC(=O)C(=O)N2CCN(c3cccc(C)c3C)CC2)c1.
What is the InChIKey of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(4-methyl-2-pyridinyl)-2-oxoacetamide?
The InChIKey is MSQMDUQPHWCPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-14-7-8-21-18(13-14)22-19(25)20(26)24-11-9-23(10-12-24)17-6-4-5-15(2)16(17)3/h4-8,13H,9-12H2,1-3H3,(H,21,22,25).
What are the key properties of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(4-methyl-2-pyridinyl)-2-oxoacetamide?
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(4-methyl-2-pyridinyl)-2-oxoacetamide has a molecular weight of 352.44 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 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-(4-methyl-2-pyridinyl)-2-oxoacetamide is sourced from PubChem (CID 108532336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).