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

C20H26N4O4 — CID 167738371

IUPAC3-[6-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC(N)C1CN(Cc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CCO1
InChIInChI=1S/C20H26N4O4/c1-12(21)17-11-23(6-7-28-17)9-13-2-3-15-14(8-13)10-24(20(15)27)16-4-5-18(25)22-19(16)26/h2-3,8,12,16-17H,4-7,9-11,21H2,1H3,(H,22,25,26)
InChIKeyRIDIQDCAYWWDQD-UHFFFAOYSA-N
MW386.45 g/mol
LogP-0.00
Rot. Bonds4

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

3-[6-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167738371) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 3-[6-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167738371
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name3-[6-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC(N)C1CN(Cc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CCO1
InChIInChI=1S/C20H26N4O4/c1-12(21)17-11-23(6-7-28-17)9-13-2-3-15-14(8-13)10-24(20(15)27)16-4-5-18(25)22-19(16)26/h2-3,8,12,16-17H,4-7,9-11,21H2,1H3,(H,22,25,26)
InChIKeyRIDIQDCAYWWDQD-UHFFFAOYSA-N
XLogP-0.00
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[6-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[6-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167741414
3-[3-oxo-6-[[(3S)-3-propan-2-ylpiperazin-1-yl]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167727302
3-[6-[(4-amino-3-ethylpiperidin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167721276
3-[6-[[(3R,4R)-4-amino-3-(hydroxymethyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167717028
3-[6-[[(1S,5R)-6-amino-3-azabicyclo[3.1.1]heptan-3-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167716957
3-[6-[[4-(methylamino)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167734657
3-[6-[[(4aS,7aR)-6-amino-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167716084
3-[6-[[3-(2-amino-2-cyclopentylethyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167727191
3-[6-[[(3aR,8aS)-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepin-6-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167716932
3-[6-[[(3aR,6aS)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167731318
3-[6-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167737664
3-[6-[[4-(3-aminopropyl)piperazin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167740272

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167738371) is 3-[6-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CC(N)C1CN(Cc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CCO1.
What is the InChIKey of 3-[6-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is RIDIQDCAYWWDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-12(21)17-11-23(6-7-28-17)9-13-2-3-15-14(8-13)10-24(20(15)27)16-4-5-18(25)22-19(16)26/h2-3,8,12,16-17H,4-7,9-11,21H2,1H3,(H,22,25,26).
What are the key properties of 3-[6-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 386.45 g/mol, XLogP of -0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167738371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).