3-[7-[[3-(aminomethyl)-3-methoxyazetidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C19H24N4O4 — CID 167734191

IUPAC3-[7-[[3-(aminomethyl)-3-methoxyazetidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCOC1(CN)CN(Cc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)C1
InChIInChI=1S/C19H24N4O4/c1-27-19(9-20)10-22(11-19)7-12-3-2-4-13-14(12)8-23(18(13)26)15-5-6-16(24)21-17(15)25/h2-4,15H,5-11,20H2,1H3,(H,21,24,25)
InChIKeyZZSVOMIEAJYVLW-UHFFFAOYSA-N
MW372.43 g/mol
LogP-0.39
Rot. Bonds5

About 3-[7-[[3-(aminomethyl)-3-methoxyazetidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[7-[[3-(aminomethyl)-3-methoxyazetidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167734191) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 3-[7-[[3-(aminomethyl)-3-methoxyazetidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[7-[[3-(aminomethyl)-3-methoxyazetidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167734191
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name3-[7-[[3-(aminomethyl)-3-methoxyazetidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCOC1(CN)CN(Cc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)C1
InChIInChI=1S/C19H24N4O4/c1-27-19(9-20)10-22(11-19)7-12-3-2-4-13-14(12)8-23(18(13)26)15-5-6-16(24)21-17(15)25/h2-4,15H,5-11,20H2,1H3,(H,21,24,25)
InChIKeyZZSVOMIEAJYVLW-UHFFFAOYSA-N
XLogP-0.39
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[7-[[3-(aminomethyl)-3-methylpiperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167726157
3-[7-[[3-(1-aminoethyl)azetidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167740245
3-[7-[[4-(1-aminocyclopropyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167735464
3-[7-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167732257
3-[3-oxo-7-(piperazin-1-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride
CID 167723330
3-[7-[[(3S,4S)-3-(2-aminoethyl)-4-methylpyrrolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167741599
methyl [2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]methanesulfonate
CID 175543319
3-[7-[(iodoamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162724516
3-[7-[(3-aminopiperidin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167728297
3-[7-[(9-amino-6-azaspiro[3.5]nonan-6-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167728772
3-[7-[[1-(aminomethyl)-2-azabicyclo[3.1.1]heptan-2-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167739144
3-[7-[[4-amino-4-(hydroxymethyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167715820

Frequently Asked Questions

What is the IUPAC name of 3-[7-[[3-(aminomethyl)-3-methoxyazetidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[7-[[3-(aminomethyl)-3-methoxyazetidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167734191) is 3-[7-[[3-(aminomethyl)-3-methoxyazetidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[7-[[3-(aminomethyl)-3-methoxyazetidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[7-[[3-(aminomethyl)-3-methoxyazetidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is COC1(CN)CN(Cc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)C1.
What is the InChIKey of 3-[7-[[3-(aminomethyl)-3-methoxyazetidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is ZZSVOMIEAJYVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-27-19(9-20)10-22(11-19)7-12-3-2-4-13-14(12)8-23(18(13)26)15-5-6-16(24)21-17(15)25/h2-4,15H,5-11,20H2,1H3,(H,21,24,25).
What are the key properties of 3-[7-[[3-(aminomethyl)-3-methoxyazetidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[7-[[3-(aminomethyl)-3-methoxyazetidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 372.43 g/mol, XLogP of -0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[[3-(aminomethyl)-3-methoxyazetidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167734191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).