1-[7-(8-aminooctyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C21H29N3O3 — CID 156579406

IUPAC1-[7-(8-aminooctyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESNCCCCCCCCc1cccc2c1CN(N1C(=O)CCCC1=O)C2=O
InChIInChI=1S/C21H29N3O3/c22-14-6-4-2-1-3-5-9-16-10-7-11-17-18(16)15-23(21(17)27)24-19(25)12-8-13-20(24)26/h7,10-11H,1-6,8-9,12-15,22H2
InChIKeyOQTYRHXBBNLIOL-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.94
Rot. Bonds9

About 1-[7-(8-aminooctyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

1-[7-(8-aminooctyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 156579406) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-[7-(8-aminooctyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[7-(8-aminooctyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID156579406
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name1-[7-(8-aminooctyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESNCCCCCCCCc1cccc2c1CN(N1C(=O)CCCC1=O)C2=O
InChIInChI=1S/C21H29N3O3/c22-14-6-4-2-1-3-5-9-16-10-7-11-17-18(16)15-23(21(17)27)24-19(25)12-8-13-20(24)26/h7,10-11H,1-6,8-9,12-15,22H2
InChIKeyOQTYRHXBBNLIOL-UHFFFAOYSA-N
XLogP2.94
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[7-(8-aminooctyl)-3-oxo-1H-isoindol-2-yl]piperidine-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

Frequently Asked Questions

What is the IUPAC name of 1-[7-(8-aminooctyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 1-[7-(8-aminooctyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 156579406) is 1-[7-(8-aminooctyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 1-[7-(8-aminooctyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 1-[7-(8-aminooctyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is NCCCCCCCCc1cccc2c1CN(N1C(=O)CCCC1=O)C2=O.
What is the InChIKey of 1-[7-(8-aminooctyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is OQTYRHXBBNLIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c22-14-6-4-2-1-3-5-9-16-10-7-11-17-18(16)15-23(21(17)27)24-19(25)12-8-13-20(24)26/h7,10-11H,1-6,8-9,12-15,22H2.
What are the key properties of 1-[7-(8-aminooctyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
1-[7-(8-aminooctyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 371.48 g/mol, XLogP of 2.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(8-aminooctyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 156579406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).