4-[2-[2-(aminomethyl)phenoxy]ethyl]-3-ethylpiperazine-2,6-dione

C15H21N3O3 — CID 66068300

IUPAC4-[2-[2-(aminomethyl)phenoxy]ethyl]-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1CCOc1ccccc1CN
InChIInChI=1S/C15H21N3O3/c1-2-12-15(20)17-14(19)10-18(12)7-8-21-13-6-4-3-5-11(13)9-16/h3-6,12H,2,7-10,16H2,1H3,(H,17,19,20)
InChIKeyBCXSKWBCUYNXDG-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.26
Rot. Bonds6

About 4-[2-[2-(aminomethyl)phenoxy]ethyl]-3-ethylpiperazine-2,6-dione

4-[2-[2-(aminomethyl)phenoxy]ethyl]-3-ethylpiperazine-2,6-dione (PubChem CID 66068300) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[2-[2-(aminomethyl)phenoxy]ethyl]-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-[2-(aminomethyl)phenoxy]ethyl]-3-ethylpiperazine-2,6-dione
PubChem CID66068300
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-[2-[2-(aminomethyl)phenoxy]ethyl]-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1CCOc1ccccc1CN
InChIInChI=1S/C15H21N3O3/c1-2-12-15(20)17-14(19)10-18(12)7-8-21-13-6-4-3-5-11(13)9-16/h3-6,12H,2,7-10,16H2,1H3,(H,17,19,20)
InChIKeyBCXSKWBCUYNXDG-UHFFFAOYSA-N
XLogP0.26
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[2-[2-(aminomethyl)phenoxy]ethyl]-3-ethylpiperazine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[2-(aminomethyl)phenoxy]ethyl]piperazine-2,6-dione
CID 66085454
4-[3-(aminomethyl)-2-pyridinyl]-3-ethylpiperazine-2,6-dione
CID 66068862
4-[2-(4-aminophenyl)ethyl]-3-ethylpiperazine-2,6-dione
CID 66069831
[2-[2-(1-methylazetidin-3-yl)ethoxy]phenyl]methanamine
CID 84686072
1-[2-[2-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidine-2,5-dione
CID 61237359
1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-methylpyrrolidin-2-one
CID 63103704
3-[(2-ethyl-3,5-dioxopiperazin-1-yl)methyl]pyridine-2-carbothioamide
CID 66067734
3-[3-[2-(aminomethyl)phenoxy]propyl]-1-methylimidazolidine-2,4-dione
CID 43253918
4-[3-(2-aminophenyl)propanoyl]-3-ethylpiperazine-2,6-dione
CID 66067254
4-[2-(aminomethyl)phenyl]-3-methylpiperazine-2,6-dione
CID 66061098
4-[2-[2-(aminomethyl)phenoxy]ethyl]-N-methylmorpholine-3-carboxamide
CID 83098387
1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-propan-2-ylpyrrolidin-2-one
CID 104511003

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(aminomethyl)phenoxy]ethyl]-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-[2-[2-(aminomethyl)phenoxy]ethyl]-3-ethylpiperazine-2,6-dione (CID 66068300) is 4-[2-[2-(aminomethyl)phenoxy]ethyl]-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-[2-[2-(aminomethyl)phenoxy]ethyl]-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-[2-[2-(aminomethyl)phenoxy]ethyl]-3-ethylpiperazine-2,6-dione is CCC1C(=O)NC(=O)CN1CCOc1ccccc1CN.
What is the InChIKey of 4-[2-[2-(aminomethyl)phenoxy]ethyl]-3-ethylpiperazine-2,6-dione?
The InChIKey is BCXSKWBCUYNXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-12-15(20)17-14(19)10-18(12)7-8-21-13-6-4-3-5-11(13)9-16/h3-6,12H,2,7-10,16H2,1H3,(H,17,19,20).
What are the key properties of 4-[2-[2-(aminomethyl)phenoxy]ethyl]-3-ethylpiperazine-2,6-dione?
4-[2-[2-(aminomethyl)phenoxy]ethyl]-3-ethylpiperazine-2,6-dione has a molecular weight of 291.35 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(aminomethyl)phenoxy]ethyl]-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 66068300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).