3-[5-[[7-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C24H26N4O3 — CID 167737294

IUPAC3-[5-[[7-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC1Cc2cccc(CN)c2N1Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C24H26N4O3/c1-14-9-16-3-2-4-17(11-25)22(16)27(14)12-15-5-6-18-13-28(24(31)19(18)10-15)20-7-8-21(29)26-23(20)30/h2-6,10,14,20H,7-9,11-13,25H2,1H3,(H,26,29,30)
InChIKeyAQIBXNKGLVHKFK-UHFFFAOYSA-N
MW418.50 g/mol
LogP1.86
Rot. Bonds4

About 3-[5-[[7-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[5-[[7-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167737294) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 3-[5-[[7-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-[[7-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167737294
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name3-[5-[[7-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC1Cc2cccc(CN)c2N1Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C24H26N4O3/c1-14-9-16-3-2-4-17(11-25)22(16)27(14)12-15-5-6-18-13-28(24(31)19(18)10-15)20-7-8-21(29)26-23(20)30/h2-6,10,14,20H,7-9,11-13,25H2,1H3,(H,26,29,30)
InChIKeyAQIBXNKGLVHKFK-UHFFFAOYSA-N
XLogP1.86
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 51.86
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

5-[[7-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167722349
3-[5-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118647025
3-[5-[[(2R,6S)-2,6-dimethylpiperazin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167729954
3-[5-[[1-(aminomethyl)-4-methyl-2-azabicyclo[2.1.1]hexan-2-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167716491
3-[5-[[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167737171
3-[5-[(3-aminoazetidin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167734218
3-[5-[[(2S,3S)-3-amino-2-methylpyrrolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167735833
3-[5-[[4-(1-amino-2-methylpropan-2-yl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167732277
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-[[(2R)-2-methyl-1,4-diazepan-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167734358
3-[5-[[6-(aminomethyl)-2-azaspiro[3.3]heptan-2-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167721336

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[7-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-[[7-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167737294) is 3-[5-[[7-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-[[7-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-[[7-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CC1Cc2cccc(CN)c2N1Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2.
What is the InChIKey of 3-[5-[[7-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is AQIBXNKGLVHKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-14-9-16-3-2-4-17(11-25)22(16)27(14)12-15-5-6-18-13-28(24(31)19(18)10-15)20-7-8-21(29)26-23(20)30/h2-6,10,14,20H,7-9,11-13,25H2,1H3,(H,26,29,30).
What are the key properties of 3-[5-[[7-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[5-[[7-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 418.50 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[7-(aminomethyl)-2-methyl-2,3-dihydroindol-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167737294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).