4-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C19H22N4O5 — CID 167716654

IUPAC4-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESNCC1CN(Cc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CCO1
InChIInChI=1S/C19H22N4O5/c20-8-12-10-22(6-7-28-12)9-11-2-1-3-13-16(11)19(27)23(18(13)26)14-4-5-15(24)21-17(14)25/h1-3,12,14H,4-10,20H2,(H,21,24,25)
InChIKeyKPLBZAURWAKGAB-UHFFFAOYSA-N
MW386.41 g/mol
LogP-0.75
Rot. Bonds4

About 4-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 167716654) has the molecular formula C19H22N4O5 and a molecular weight of 386.41 g/mol. Its IUPAC name is 4-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID167716654
Molecular FormulaC19H22N4O5
Molecular Weight386.41 g/mol
Exact Mass386.16
IUPAC Name4-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESNCC1CN(Cc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CCO1
InChIInChI=1S/C19H22N4O5/c20-8-12-10-22(6-7-28-12)9-11-2-1-3-13-16(11)19(27)23(18(13)26)14-4-5-15(24)21-17(14)25/h1-3,12,14H,4-10,20H2,(H,21,24,25)
InChIKeyKPLBZAURWAKGAB-UHFFFAOYSA-N
XLogP-0.75
TPSA122.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)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

Related Compounds

4-[[(2R)-2-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]morpholin-4-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167462637
4-[(4-aminopiperidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167727971
4-[(4-amino-3,5-dimethylpiperidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167728924
4-[[3-(1-aminocyclopropyl)azetidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167727847
4-[(3-amino-3-methylazetidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167742001
4-[[4-amino-4-(difluoromethyl)piperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167716787
4-[[3-(4-aminophenyl)azetidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167742236
4-[[3-(2-aminoethyl)-3-hydroxyazetidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167720275
4-[(4-amino-4-ethylpiperidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167727689
4-[[2-(aminomethyl)-3,3-dimethylpyrrolidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167720175
4-[(3-cyclopentylpiperazin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167735165
4-[[3-(3-amino-2,2-dimethylpropyl)azetidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167740104

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 4-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 167716654) is 4-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 4-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is NCC1CN(Cc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CCO1.
What is the InChIKey of 4-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is KPLBZAURWAKGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5/c20-8-12-10-22(6-7-28-12)9-11-2-1-3-13-16(11)19(27)23(18(13)26)14-4-5-15(24)21-17(14)25/h1-3,12,14H,4-10,20H2,(H,21,24,25).
What are the key properties of 4-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
4-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 386.41 g/mol, XLogP of -0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 167716654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).