1-[2-(3-aminophenyl)-2-hydroxyethyl]-4-ethylpiperazine-2,3-dione

C14H19N3O3 — CID 62266993

IUPAC1-[2-(3-aminophenyl)-2-hydroxyethyl]-4-ethylpiperazine-2,3-dione
SMILESCCN1CCN(CC(O)c2cccc(N)c2)C(=O)C1=O
InChIInChI=1S/C14H19N3O3/c1-2-16-6-7-17(14(20)13(16)19)9-12(18)10-4-3-5-11(15)8-10/h3-5,8,12,18H,2,6-7,9,15H2,1H3
InChIKeyACGHYCFDNHDEAA-UHFFFAOYSA-N
MW277.32 g/mol
LogP-0.01
Rot. Bonds4

About 1-[2-(3-aminophenyl)-2-hydroxyethyl]-4-ethylpiperazine-2,3-dione

1-[2-(3-aminophenyl)-2-hydroxyethyl]-4-ethylpiperazine-2,3-dione (PubChem CID 62266993) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[2-(3-aminophenyl)-2-hydroxyethyl]-4-ethylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-[2-(3-aminophenyl)-2-hydroxyethyl]-4-ethylpiperazine-2,3-dione
PubChem CID62266993
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-[2-(3-aminophenyl)-2-hydroxyethyl]-4-ethylpiperazine-2,3-dione
SMILESCCN1CCN(CC(O)c2cccc(N)c2)C(=O)C1=O
InChIInChI=1S/C14H19N3O3/c1-2-16-6-7-17(14(20)13(16)19)9-12(18)10-4-3-5-11(15)8-10/h3-5,8,12,18H,2,6-7,9,15H2,1H3
InChIKeyACGHYCFDNHDEAA-UHFFFAOYSA-N
XLogP-0.01
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
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-ethyl-4-(2-hydroxy-2-phenylethyl)piperazine-2,3-dione
CID 60886984
4-[2-(3-aminophenyl)-2-hydroxyethyl]-1-methyl-1,4-diazepan-2-one
CID 102888462
1-(3-aminophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanol
CID 103530992
1-(3-aminophenyl)-2-(3-ethylpiperidin-1-yl)ethanol
CID 62265432
1-[4-[3-(3-aminophenyl)-3-hydroxypropyl]piperazin-1-yl]ethanone
CID 82135880
1-(3-aminophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 62264397
1-(3-aminophenyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol
CID 79940896
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(3-aminophenyl)ethanol
CID 102725506
1-(3-aminophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 62264924
8-[2-(3-aminophenyl)-2-hydroxyethyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63764292
3-(3-aminophenyl)-3-hydroxypropanal
CID 102502170
1-(3-aminophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)ethanol
CID 55055399

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-aminophenyl)-2-hydroxyethyl]-4-ethylpiperazine-2,3-dione?
The IUPAC name of 1-[2-(3-aminophenyl)-2-hydroxyethyl]-4-ethylpiperazine-2,3-dione (CID 62266993) is 1-[2-(3-aminophenyl)-2-hydroxyethyl]-4-ethylpiperazine-2,3-dione.
What is the SMILES notation for 1-[2-(3-aminophenyl)-2-hydroxyethyl]-4-ethylpiperazine-2,3-dione?
The canonical SMILES for 1-[2-(3-aminophenyl)-2-hydroxyethyl]-4-ethylpiperazine-2,3-dione is CCN1CCN(CC(O)c2cccc(N)c2)C(=O)C1=O.
What is the InChIKey of 1-[2-(3-aminophenyl)-2-hydroxyethyl]-4-ethylpiperazine-2,3-dione?
The InChIKey is ACGHYCFDNHDEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-16-6-7-17(14(20)13(16)19)9-12(18)10-4-3-5-11(15)8-10/h3-5,8,12,18H,2,6-7,9,15H2,1H3.
What are the key properties of 1-[2-(3-aminophenyl)-2-hydroxyethyl]-4-ethylpiperazine-2,3-dione?
1-[2-(3-aminophenyl)-2-hydroxyethyl]-4-ethylpiperazine-2,3-dione has a molecular weight of 277.32 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-aminophenyl)-2-hydroxyethyl]-4-ethylpiperazine-2,3-dione is sourced from PubChem (CID 62266993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).