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

C15H18ClN3O3 — CID 175281806

IUPAC3-[1-(aminomethyl)-7-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride
SMILESCc1cccc2c1C(CN)N(C1CCC(=O)NC1=O)C2=O.Cl
InChIInChI=1S/C15H17N3O3.ClH/c1-8-3-2-4-9-13(8)11(7-16)18(15(9)21)10-5-6-12(19)17-14(10)20;/h2-4,10-11H,5-7,16H2,1H3,(H,17,19,20);1H
InChIKeyNEFJZDXCXMIAAA-UHFFFAOYSA-N
MW323.78 g/mol
LogP0.68
Rot. Bonds2

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

3-[1-(aminomethyl)-7-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride (PubChem CID 175281806) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is 3-[1-(aminomethyl)-7-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride.

Molecular Properties

Compound Name3-[1-(aminomethyl)-7-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride
PubChem CID175281806
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC Name3-[1-(aminomethyl)-7-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride
SMILESCc1cccc2c1C(CN)N(C1CCC(=O)NC1=O)C2=O.Cl
InChIInChI=1S/C15H17N3O3.ClH/c1-8-3-2-4-9-13(8)11(7-16)18(15(9)21)10-5-6-12(19)17-14(10)20;/h2-4,10-11H,5-7,16H2,1H3,(H,17,19,20);1H
InChIKeyNEFJZDXCXMIAAA-UHFFFAOYSA-N
XLogP0.68
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 50.68
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-(7-fluoro-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 176695414
3-[7-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-hydroxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155020267
3-(1-hydroxy-3-oxo-7-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167190475
3-[(3E)-3-ethylidene-4-methyl-1-oxoisoindol-2-yl]piperidine-2,6-dione
CID 177344144
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
3-[[3-(2-cyclopropylethyl)-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]bicyclo[1.1.1]pentane-1-carboxamide
CID 176891541
3-(4-methylindol-1-yl)piperidine-2,6-dione
CID 167418675
3-(5-methyl-4-methylidene-2-oxo-1H-quinazolin-3-yl)piperidine-2,6-dione
CID 129173983
1-(3-amino-4-methylphenyl)-3-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-1-yl]methyl]urea
CID 118865376

Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)-7-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride?
The IUPAC name of 3-[1-(aminomethyl)-7-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride (CID 175281806) is 3-[1-(aminomethyl)-7-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride.
What is the SMILES notation for 3-[1-(aminomethyl)-7-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride?
The canonical SMILES for 3-[1-(aminomethyl)-7-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride is Cc1cccc2c1C(CN)N(C1CCC(=O)NC1=O)C2=O.Cl.
What is the InChIKey of 3-[1-(aminomethyl)-7-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride?
The InChIKey is NEFJZDXCXMIAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3.ClH/c1-8-3-2-4-9-13(8)11(7-16)18(15(9)21)10-5-6-12(19)17-14(10)20;/h2-4,10-11H,5-7,16H2,1H3,(H,17,19,20);1H.
What are the key properties of 3-[1-(aminomethyl)-7-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride?
3-[1-(aminomethyl)-7-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride has a molecular weight of 323.78 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)-7-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride is sourced from PubChem (CID 175281806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).