3-[3-oxo-6-[(2-piperidin-4-yloxyanilino)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione

C25H28N4O4 — CID 167739306

IUPAC3-[3-oxo-6-[(2-piperidin-4-yloxyanilino)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(CNc4ccccc4OC4CCNCC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C25H28N4O4/c30-23-8-7-21(24(31)28-23)29-15-17-13-16(5-6-19(17)25(29)32)14-27-20-3-1-2-4-22(20)33-18-9-11-26-12-10-18/h1-6,13,18,21,26-27H,7-12,14-15H2,(H,28,30,31)
InChIKeyRAKXFESNPUOIRX-UHFFFAOYSA-N
MW448.52 g/mol
LogP2.19
Rot. Bonds6

About 3-[3-oxo-6-[(2-piperidin-4-yloxyanilino)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione

3-[3-oxo-6-[(2-piperidin-4-yloxyanilino)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167739306) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 3-[3-oxo-6-[(2-piperidin-4-yloxyanilino)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-oxo-6-[(2-piperidin-4-yloxyanilino)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167739306
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name3-[3-oxo-6-[(2-piperidin-4-yloxyanilino)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(CNc4ccccc4OC4CCNCC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C25H28N4O4/c30-23-8-7-21(24(31)28-23)29-15-17-13-16(5-6-19(17)25(29)32)14-27-20-3-1-2-4-22(20)33-18-9-11-26-12-10-18/h1-6,13,18,21,26-27H,7-12,14-15H2,(H,28,30,31)
InChIKeyRAKXFESNPUOIRX-UHFFFAOYSA-N
XLogP2.19
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[3-oxo-6-[(2-piperidin-4-yloxyanilino)methyl]-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

Related Compounds

3-[3-oxo-6-[[(2-piperazin-1-yl-3-pyridinyl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167728123
3-(3-oxo-6-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione
CID 134413864
3-[3-oxo-6-[(1,2,3,4-tetrahydroisoquinolin-6-ylamino)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167742456
[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methylurea
CID 131740402
(3R)-3-(3-oxo-7-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione
CID 175756568
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]formamide
CID 130219683
3-[3-oxo-6-[[(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167715892
3-[6-[[(3-amino-1-bicyclo[1.1.1]pentanyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167724830
3-[6-[[[(3R,4S)-3-hydroxypiperidin-4-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167736321
3-[6-[[3-(methylaminomethyl)anilino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167735749
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2-methyl-2-phenylpropanamide
CID 162670524
3-[3-oxo-6-[(1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-3-ylamino)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167740957

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-6-[(2-piperidin-4-yloxyanilino)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-oxo-6-[(2-piperidin-4-yloxyanilino)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167739306) is 3-[3-oxo-6-[(2-piperidin-4-yloxyanilino)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-oxo-6-[(2-piperidin-4-yloxyanilino)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-oxo-6-[(2-piperidin-4-yloxyanilino)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc(CNc4ccccc4OC4CCNCC4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 3-[3-oxo-6-[(2-piperidin-4-yloxyanilino)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is RAKXFESNPUOIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c30-23-8-7-21(24(31)28-23)29-15-17-13-16(5-6-19(17)25(29)32)14-27-20-3-1-2-4-22(20)33-18-9-11-26-12-10-18/h1-6,13,18,21,26-27H,7-12,14-15H2,(H,28,30,31).
What are the key properties of 3-[3-oxo-6-[(2-piperidin-4-yloxyanilino)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[3-oxo-6-[(2-piperidin-4-yloxyanilino)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 448.52 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-6-[(2-piperidin-4-yloxyanilino)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167739306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).