2-(4-acetylpiperazin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide

C18H26N4O3 — CID 8904009

IUPAC2-(4-acetylpiperazin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
SMILESCC(=O)N1CCN(CC(=O)N(C)CC(=O)Nc2ccc(C)cc2)CC1
InChIInChI=1S/C18H26N4O3/c1-14-4-6-16(7-5-14)19-17(24)12-20(3)18(25)13-21-8-10-22(11-9-21)15(2)23/h4-7H,8-13H2,1-3H3,(H,19,24)
InChIKeyLOEGDUUFGNPUOY-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.56
Rot. Bonds5

About 2-(4-acetylpiperazin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide

2-(4-acetylpiperazin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide (PubChem CID 8904009) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
PubChem CID8904009
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
SMILESCC(=O)N1CCN(CC(=O)N(C)CC(=O)Nc2ccc(C)cc2)CC1
InChIInChI=1S/C18H26N4O3/c1-14-4-6-16(7-5-14)19-17(24)12-20(3)18(25)13-21-8-10-22(11-9-21)15(2)23/h4-7H,8-13H2,1-3H3,(H,19,24)
InChIKeyLOEGDUUFGNPUOY-UHFFFAOYSA-N
XLogP0.56
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 2697560
2-(4-acetylpiperazin-1-yl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 9033807
2-(4-benzylpiperidin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 40706204
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8544277
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide
CID 86959400
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 9258213
4-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 8904118
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 8691402
(3R)-1-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxamide
CID 9304559
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9374464
2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 8583021

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide (CID 8904009) is 2-(4-acetylpiperazin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide is CC(=O)N1CCN(CC(=O)N(C)CC(=O)Nc2ccc(C)cc2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
The InChIKey is LOEGDUUFGNPUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-14-4-6-16(7-5-14)19-17(24)12-20(3)18(25)13-21-8-10-22(11-9-21)15(2)23/h4-7H,8-13H2,1-3H3,(H,19,24).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
2-(4-acetylpiperazin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide has a molecular weight of 346.43 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 8904009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).