N-[5-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]acetamide

C17H24N4O3 — CID 60536365

IUPACN-[5-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(NCC(=O)N2CCN(C(C)=O)CC2)ccc1C
InChIInChI=1S/C17H24N4O3/c1-12-4-5-15(10-16(12)19-13(2)22)18-11-17(24)21-8-6-20(7-9-21)14(3)23/h4-5,10,18H,6-9,11H2,1-3H3,(H,19,22)
InChIKeyHSAQJUMBIPEIKT-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.06
Rot. Bonds4

About N-[5-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]acetamide

N-[5-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]acetamide (PubChem CID 60536365) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[5-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]acetamide
PubChem CID60536365
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-[5-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(NCC(=O)N2CCN(C(C)=O)CC2)ccc1C
InChIInChI=1S/C17H24N4O3/c1-12-4-5-15(10-16(12)19-13(2)22)18-11-17(24)21-8-6-20(7-9-21)14(3)23/h4-5,10,18H,6-9,11H2,1-3H3,(H,19,22)
InChIKeyHSAQJUMBIPEIKT-UHFFFAOYSA-N
XLogP1.06
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-4-methylphenyl]benzamide
CID 60536489
1-(4-acetylpiperazin-1-yl)-2-(3,4-difluoroanilino)ethanone
CID 108996222
1-(4-acetylpiperazin-1-yl)-2-(3,5-dimethylanilino)ethanone
CID 108996155
1-(4-acetylpiperazin-1-yl)-2-(3-chloroanilino)ethanone
CID 108996168
1-(4-acetylpiperazin-1-yl)-2-[4-(dimethylamino)anilino]ethanone
CID 108996192
1-(4-acetylpiperazin-1-yl)-2-[4-(trifluoromethyl)anilino]ethanone
CID 108996185
2-(4-fluoro-3-methylanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 55117982
2-[4-methyl-3-(trifluoromethyl)anilino]-1-pyrrolidin-1-ylethanone
CID 60703975
ethyl 4-[2-(3-acetamidoanilino)acetyl]piperazine-1-carboxylate
CID 109003894
2-(3-acetamido-4-methylanilino)-N-(4-propylphenyl)acetamide
CID 60536220
2-(3-acetamido-4-methylanilino)-N-(3-acetylphenyl)acetamide
CID 60536243
2-(3,4-dimethylanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 109004883

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]acetamide?
The IUPAC name of N-[5-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]acetamide (CID 60536365) is N-[5-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[5-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]acetamide?
The canonical SMILES for N-[5-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]acetamide is CC(=O)Nc1cc(NCC(=O)N2CCN(C(C)=O)CC2)ccc1C.
What is the InChIKey of N-[5-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]acetamide?
The InChIKey is HSAQJUMBIPEIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-12-4-5-15(10-16(12)19-13(2)22)18-11-17(24)21-8-6-20(7-9-21)14(3)23/h4-5,10,18H,6-9,11H2,1-3H3,(H,19,22).
What are the key properties of N-[5-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]acetamide?
N-[5-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]acetamide has a molecular weight of 332.40 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]acetamide is sourced from PubChem (CID 60536365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).