1-[(3-amino-5-methoxyphenyl)methyl]-4-ethylpiperazine-2,3-dione

C14H19N3O3 — CID 81150887

IUPAC1-[(3-amino-5-methoxyphenyl)methyl]-4-ethylpiperazine-2,3-dione
SMILESCCN1CCN(Cc2cc(N)cc(OC)c2)C(=O)C1=O
InChIInChI=1S/C14H19N3O3/c1-3-16-4-5-17(14(19)13(16)18)9-10-6-11(15)8-12(7-10)20-2/h6-8H,3-5,9,15H2,1-2H3
InChIKeyUUTSKJCBPKVWPT-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.47
Rot. Bonds4

About 1-[(3-amino-5-methoxyphenyl)methyl]-4-ethylpiperazine-2,3-dione

1-[(3-amino-5-methoxyphenyl)methyl]-4-ethylpiperazine-2,3-dione (PubChem CID 81150887) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[(3-amino-5-methoxyphenyl)methyl]-4-ethylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-[(3-amino-5-methoxyphenyl)methyl]-4-ethylpiperazine-2,3-dione
PubChem CID81150887
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-[(3-amino-5-methoxyphenyl)methyl]-4-ethylpiperazine-2,3-dione
SMILESCCN1CCN(Cc2cc(N)cc(OC)c2)C(=O)C1=O
InChIInChI=1S/C14H19N3O3/c1-3-16-4-5-17(14(19)13(16)18)9-10-6-11(15)8-12(7-10)20-2/h6-8H,3-5,9,15H2,1-2H3
InChIKeyUUTSKJCBPKVWPT-UHFFFAOYSA-N
XLogP0.47
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-amino-5-methoxyphenyl)methyl]-4-ethylpyrrolidin-2-one
CID 81150822
1-[(3-amino-5-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 81149958
1-[(3-amino-5-methoxyphenyl)methyl]-3-methylimidazolidine-2,4,5-trione
CID 81150032
1-[(3-amino-5-methoxyphenyl)methyl]-4-methylpyrrolidin-2-one
CID 81150038
3-[(3-amino-5-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 81149806
1-[(2-amino-4-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione
CID 62465068
3-methoxy-5-[(4-propylpiperidin-1-yl)methyl]aniline
CID 81150307
1-[(3-amino-5-methoxyphenyl)methyl]-4,4-dimethylpiperidine-2,6-dione
CID 81149814
ethyl 4-[(3-amino-5-methoxyphenyl)methyl]piperazine-1-carboxylate
CID 107876878
4-[(3-amino-5-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one
CID 81145854
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]-5-methoxyaniline
CID 81150809
1-[(3-amino-5-methoxyphenyl)methyl]piperidin-4-ol
CID 81148745

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-5-methoxyphenyl)methyl]-4-ethylpiperazine-2,3-dione?
The IUPAC name of 1-[(3-amino-5-methoxyphenyl)methyl]-4-ethylpiperazine-2,3-dione (CID 81150887) is 1-[(3-amino-5-methoxyphenyl)methyl]-4-ethylpiperazine-2,3-dione.
What is the SMILES notation for 1-[(3-amino-5-methoxyphenyl)methyl]-4-ethylpiperazine-2,3-dione?
The canonical SMILES for 1-[(3-amino-5-methoxyphenyl)methyl]-4-ethylpiperazine-2,3-dione is CCN1CCN(Cc2cc(N)cc(OC)c2)C(=O)C1=O.
What is the InChIKey of 1-[(3-amino-5-methoxyphenyl)methyl]-4-ethylpiperazine-2,3-dione?
The InChIKey is UUTSKJCBPKVWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-3-16-4-5-17(14(19)13(16)18)9-10-6-11(15)8-12(7-10)20-2/h6-8H,3-5,9,15H2,1-2H3.
What are the key properties of 1-[(3-amino-5-methoxyphenyl)methyl]-4-ethylpiperazine-2,3-dione?
1-[(3-amino-5-methoxyphenyl)methyl]-4-ethylpiperazine-2,3-dione has a molecular weight of 277.32 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-5-methoxyphenyl)methyl]-4-ethylpiperazine-2,3-dione is sourced from PubChem (CID 81150887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).