4-amino-2-[1-(1-methylpiperidin-4-yl)ethyl]isoindole-1,3-dione

C16H21N3O2 — CID 43682453

IUPAC4-amino-2-[1-(1-methylpiperidin-4-yl)ethyl]isoindole-1,3-dione
SMILESCC(C1CCN(C)CC1)N1C(=O)c2cccc(N)c2C1=O
InChIInChI=1S/C16H21N3O2/c1-10(11-6-8-18(2)9-7-11)19-15(20)12-4-3-5-13(17)14(12)16(19)21/h3-5,10-11H,6-9,17H2,1-2H3
InChIKeyUYTQLKKHEIGGSC-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.60
Rot. Bonds2

About 4-amino-2-[1-(1-methylpiperidin-4-yl)ethyl]isoindole-1,3-dione

4-amino-2-[1-(1-methylpiperidin-4-yl)ethyl]isoindole-1,3-dione (PubChem CID 43682453) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-amino-2-[1-(1-methylpiperidin-4-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-amino-2-[1-(1-methylpiperidin-4-yl)ethyl]isoindole-1,3-dione
PubChem CID43682453
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-amino-2-[1-(1-methylpiperidin-4-yl)ethyl]isoindole-1,3-dione
SMILESCC(C1CCN(C)CC1)N1C(=O)c2cccc(N)c2C1=O
InChIInChI=1S/C16H21N3O2/c1-10(11-6-8-18(2)9-7-11)19-15(20)12-4-3-5-13(17)14(12)16(19)21/h3-5,10-11H,6-9,17H2,1-2H3
InChIKeyUYTQLKKHEIGGSC-UHFFFAOYSA-N
XLogP1.60
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-2-[1-(1-methylpiperidin-4-yl)ethyl]isoindole-1,3-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[1-(1-methylpiperidin-4-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of 4-amino-2-[1-(1-methylpiperidin-4-yl)ethyl]isoindole-1,3-dione (CID 43682453) is 4-amino-2-[1-(1-methylpiperidin-4-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 4-amino-2-[1-(1-methylpiperidin-4-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 4-amino-2-[1-(1-methylpiperidin-4-yl)ethyl]isoindole-1,3-dione is CC(C1CCN(C)CC1)N1C(=O)c2cccc(N)c2C1=O.
What is the InChIKey of 4-amino-2-[1-(1-methylpiperidin-4-yl)ethyl]isoindole-1,3-dione?
The InChIKey is UYTQLKKHEIGGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10(11-6-8-18(2)9-7-11)19-15(20)12-4-3-5-13(17)14(12)16(19)21/h3-5,10-11H,6-9,17H2,1-2H3.
What are the key properties of 4-amino-2-[1-(1-methylpiperidin-4-yl)ethyl]isoindole-1,3-dione?
4-amino-2-[1-(1-methylpiperidin-4-yl)ethyl]isoindole-1,3-dione has a molecular weight of 287.36 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[1-(1-methylpiperidin-4-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 43682453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).