3-[5-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C14H15N3O3 — CID 118647025

IUPAC3-[5-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESNCc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C14H15N3O3/c15-6-8-1-2-9-7-17(14(20)10(9)5-8)11-3-4-12(18)16-13(11)19/h1-2,5,11H,3-4,6-7,15H2,(H,16,18,19)
InChIKeyQZCGMGMBHRRQER-UHFFFAOYSA-N
MW273.29 g/mol
LogP-0.09
Rot. Bonds2

About 3-[5-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[5-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 118647025) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-[5-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID118647025
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name3-[5-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESNCc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C14H15N3O3/c15-6-8-1-2-9-7-17(14(20)10(9)5-8)11-3-4-12(18)16-13(11)19/h1-2,5,11H,3-4,6-7,15H2,(H,16,18,19)
InChIKeyQZCGMGMBHRRQER-UHFFFAOYSA-N
XLogP-0.09
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 163614917
(3R)-3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 174302674
3-[5-[(3-aminoazetidin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167734218
3-[6-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methanesulfonic acid
CID 86630765
N-[[4-(aminomethyl)phenyl]methyl]-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carboxamide
CID 166426269
3-[5-[[(1-aminocyclohexyl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167725102
3-[5-[[(1-aminocycloheptyl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167725922
3-[5-[[[(1R,2S)-2-(aminomethyl)cyclobutyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167729444
3-[5-[[(2-amino-1-cyclopropylethyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167727087
3-[5-[[3-(aminomethyl)but-3-enylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167729891
3-[5-[[[5-(aminomethyl)-1H-pyrazol-3-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167724757
3-[5-[[azetidin-3-yl(cyclopropyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167716963

Frequently Asked Questions

What is the IUPAC name of 3-[5-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 118647025) is 3-[5-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is NCc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2.
What is the InChIKey of 3-[5-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is QZCGMGMBHRRQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c15-6-8-1-2-9-7-17(14(20)10(9)5-8)11-3-4-12(18)16-13(11)19/h1-2,5,11H,3-4,6-7,15H2,(H,16,18,19).
What are the key properties of 3-[5-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[5-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 273.29 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 118647025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).