3-[5-[[2,3-dihydro-1H-isoindol-1-ylmethyl(methyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C24H26N4O3 — CID 167740038

IUPAC3-[5-[[2,3-dihydro-1H-isoindol-1-ylmethyl(methyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCN(Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2)CC1NCc2ccccc21
InChIInChI=1S/C24H26N4O3/c1-27(14-20-18-5-3-2-4-16(18)11-25-20)12-15-6-7-17-13-28(24(31)19(17)10-15)21-8-9-22(29)26-23(21)30/h2-7,10,20-21,25H,8-9,11-14H2,1H3,(H,26,29,30)
InChIKeyMMFHBZBNCVQHKP-UHFFFAOYSA-N
MW418.50 g/mol
LogP1.72
Rot. Bonds5

About 3-[5-[[2,3-dihydro-1H-isoindol-1-ylmethyl(methyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[5-[[2,3-dihydro-1H-isoindol-1-ylmethyl(methyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167740038) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 3-[5-[[2,3-dihydro-1H-isoindol-1-ylmethyl(methyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-[[2,3-dihydro-1H-isoindol-1-ylmethyl(methyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167740038
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name3-[5-[[2,3-dihydro-1H-isoindol-1-ylmethyl(methyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCN(Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2)CC1NCc2ccccc21
InChIInChI=1S/C24H26N4O3/c1-27(14-20-18-5-3-2-4-16(18)11-25-20)12-15-6-7-17-13-28(24(31)19(17)10-15)21-8-9-22(29)26-23(21)30/h2-7,10,20-21,25H,8-9,11-14H2,1H3,(H,26,29,30)
InChIKeyMMFHBZBNCVQHKP-UHFFFAOYSA-N
XLogP1.72
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[5-[[methyl-[3-(methylamino)propyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167717842
3-[5-[[methyl-[4-(methylamino)butyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167739807
3-[5-[[2,3-dihydro-1H-pyrrol-4-ylmethyl(methyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167735955
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-[[N-(2-aminoethyl)anilino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167717413
3-[5-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118647025
3-[5-[[azetidin-3-yl(cyclopropyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167716963
3-[5-[[3-aminopropyl(ethyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167737014
3-[5-[[bis[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride
CID 167977567
5-[(2,3-dihydro-1H-isoindol-1-ylmethylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167720390
methylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155746155

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[2,3-dihydro-1H-isoindol-1-ylmethyl(methyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-[[2,3-dihydro-1H-isoindol-1-ylmethyl(methyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167740038) is 3-[5-[[2,3-dihydro-1H-isoindol-1-ylmethyl(methyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-[[2,3-dihydro-1H-isoindol-1-ylmethyl(methyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-[[2,3-dihydro-1H-isoindol-1-ylmethyl(methyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CN(Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2)CC1NCc2ccccc21.
What is the InChIKey of 3-[5-[[2,3-dihydro-1H-isoindol-1-ylmethyl(methyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is MMFHBZBNCVQHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-27(14-20-18-5-3-2-4-16(18)11-25-20)12-15-6-7-17-13-28(24(31)19(17)10-15)21-8-9-22(29)26-23(21)30/h2-7,10,20-21,25H,8-9,11-14H2,1H3,(H,26,29,30).
What are the key properties of 3-[5-[[2,3-dihydro-1H-isoindol-1-ylmethyl(methyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[5-[[2,3-dihydro-1H-isoindol-1-ylmethyl(methyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 418.50 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[2,3-dihydro-1H-isoindol-1-ylmethyl(methyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167740038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).