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

C24H26N4O3 — CID 167731680

IUPAC3-[5-[[2-(2,3-dihydro-1H-indol-3-yl)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3ccc(CNCCC4CNc5ccccc54)cc3C2=O)C(=O)N1
InChIInChI=1S/C24H26N4O3/c29-22-8-7-21(23(30)27-22)28-14-17-6-5-15(11-19(17)24(28)31)12-25-10-9-16-13-26-20-4-2-1-3-18(16)20/h1-6,11,16,21,25-26H,7-10,12-14H2,(H,27,29,30)
InChIKeyFFUVCDVDTNSPQP-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.14
Rot. Bonds6

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

3-[5-[[2-(2,3-dihydro-1H-indol-3-yl)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167731680) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 3-[5-[[2-(2,3-dihydro-1H-indol-3-yl)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-[[2-(2,3-dihydro-1H-indol-3-yl)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167731680
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name3-[5-[[2-(2,3-dihydro-1H-indol-3-yl)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3ccc(CNCCC4CNc5ccccc54)cc3C2=O)C(=O)N1
InChIInChI=1S/C24H26N4O3/c29-22-8-7-21(23(30)27-22)28-14-17-6-5-15(11-19(17)24(28)31)12-25-10-9-16-13-26-20-4-2-1-3-18(16)20/h1-6,11,16,21,25-26H,7-10,12-14H2,(H,27,29,30)
InChIKeyFFUVCDVDTNSPQP-UHFFFAOYSA-N
XLogP2.14
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[5-[[2-[(1R,3R)-3-aminocyclopentyl]ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167715256
3-[5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167731481
3-[5-[[2-[(4R)-2,2-dimethyl-1,3-oxazolidin-4-yl]ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167716281
3-[5-[[2-(3-aminophenyl)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167733572
3-[5-[[2-(2-hydroxypropylamino)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167732964
3-[5-[(2-azabicyclo[2.2.2]octan-1-ylmethylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167729457
3-[5-[[3-(aminomethyl)but-3-enylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167729891
3-[5-[(3-morpholin-2-ylpropylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167737398
3-[3-oxo-6-[[2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethylamino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167718095
3-[5-[[[4-(2-aminopropyl)phenyl]methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167723315
3-[5-[[(1-aminocycloheptyl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167725922
3-[5-[[(1-aminocyclohexyl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167725102

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[2-(2,3-dihydro-1H-indol-3-yl)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-[[2-(2,3-dihydro-1H-indol-3-yl)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167731680) is 3-[5-[[2-(2,3-dihydro-1H-indol-3-yl)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-[[2-(2,3-dihydro-1H-indol-3-yl)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-[[2-(2,3-dihydro-1H-indol-3-yl)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3ccc(CNCCC4CNc5ccccc54)cc3C2=O)C(=O)N1.
What is the InChIKey of 3-[5-[[2-(2,3-dihydro-1H-indol-3-yl)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is FFUVCDVDTNSPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c29-22-8-7-21(23(30)27-22)28-14-17-6-5-15(11-19(17)24(28)31)12-25-10-9-16-13-26-20-4-2-1-3-18(16)20/h1-6,11,16,21,25-26H,7-10,12-14H2,(H,27,29,30).
What are the key properties of 3-[5-[[2-(2,3-dihydro-1H-indol-3-yl)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[5-[[2-(2,3-dihydro-1H-indol-3-yl)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 418.50 g/mol, XLogP of 2.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[2-(2,3-dihydro-1H-indol-3-yl)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167731680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).