4-[(5-acetyl-2-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione

C15H18N2O4 — CID 66062368

IUPAC4-[(5-acetyl-2-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione
SMILESCOc1ccc(C(C)=O)cc1CN1CC(=O)NC(=O)C1C
InChIInChI=1S/C15H18N2O4/c1-9-15(20)16-14(19)8-17(9)7-12-6-11(10(2)18)4-5-13(12)21-3/h4-6,9H,7-8H2,1-3H3,(H,16,19,20)
InChIKeyPNHHLJBMERNTHN-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.74
Rot. Bonds4

About 4-[(5-acetyl-2-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione

4-[(5-acetyl-2-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione (PubChem CID 66062368) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-[(5-acetyl-2-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[(5-acetyl-2-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione
PubChem CID66062368
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name4-[(5-acetyl-2-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione
SMILESCOc1ccc(C(C)=O)cc1CN1CC(=O)NC(=O)C1C
InChIInChI=1S/C15H18N2O4/c1-9-15(20)16-14(19)8-17(9)7-12-6-11(10(2)18)4-5-13(12)21-3/h4-6,9H,7-8H2,1-3H3,(H,16,19,20)
InChIKeyPNHHLJBMERNTHN-UHFFFAOYSA-N
XLogP0.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-methoxy-3-[(2-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 62673685
1-[3-[(2,5-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone
CID 64980172
1-[(5-acetyl-2-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79179153
3-[(5-acetyl-2-methoxyphenyl)methyl]-5,5-dicyclopropylimidazolidine-2,4-dione
CID 51106612
1-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]ethanone
CID 43237144
1-[(5-acetyl-2-methoxyphenyl)methyl]piperazine-2-carbonitrile
CID 79086081
1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone
CID 43218731
1-[(5-acetyl-2-methoxyphenyl)methyl]pyrrolidin-2-one
CID 62019174
4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-3-methylpiperazine-2,6-dione
CID 66063651
1-[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]ethanone
CID 83136835
1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
CID 4689851
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148

Frequently Asked Questions

What is the IUPAC name of 4-[(5-acetyl-2-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-[(5-acetyl-2-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione (CID 66062368) is 4-[(5-acetyl-2-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-[(5-acetyl-2-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-[(5-acetyl-2-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione is COc1ccc(C(C)=O)cc1CN1CC(=O)NC(=O)C1C.
What is the InChIKey of 4-[(5-acetyl-2-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione?
The InChIKey is PNHHLJBMERNTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-9-15(20)16-14(19)8-17(9)7-12-6-11(10(2)18)4-5-13(12)21-3/h4-6,9H,7-8H2,1-3H3,(H,16,19,20).
What are the key properties of 4-[(5-acetyl-2-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione?
4-[(5-acetyl-2-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione has a molecular weight of 290.32 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-acetyl-2-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66062368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).