3-[4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione

C22H25N3O3 — CID 176509524

IUPAC3-[4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
SMILESCOc1ccc([C@@H](C)Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3)cc1
InChIInChI=1S/C22H25N3O3/c1-14(15-6-8-17(28-2)9-7-15)23-19-5-3-4-16-12-25(13-18(16)19)20-10-11-21(26)24-22(20)27/h3-9,14,20,23H,10-13H2,1-2H3,(H,24,26,27)/t14-,20?/m1/s1
InChIKeyFWPTYKURHPLQIK-QMRFKDRMSA-N
MW379.46 g/mol
LogP2.99
Rot. Bonds5

About 3-[4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione

3-[4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione (PubChem CID 176509524) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-[4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
PubChem CID176509524
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name3-[4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
SMILESCOc1ccc([C@@H](C)Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3)cc1
InChIInChI=1S/C22H25N3O3/c1-14(15-6-8-17(28-2)9-7-15)23-19-5-3-4-16-12-25(13-18(16)19)20-10-11-21(26)24-22(20)27/h3-9,14,20,23H,10-13H2,1-2H3,(H,24,26,27)/t14-,20?/m1/s1
InChIKeyFWPTYKURHPLQIK-QMRFKDRMSA-N
XLogP2.99
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[4-[2-(methylamino)ethylamino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 175697338
3-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 130335320
3-[4-[[4-(chloromethyl)phenyl]methylamino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 151513636
3-[4-(3-aminopropoxy)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 175855337
3-[4-(4-piperazin-1-ylbutylamino)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 154639394
3-[3-oxo-7-(1-sulfanylethylamino)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 138627200
3-[4-(3,6-diazabicyclo[3.1.1]heptan-6-ylmethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 175906632
(3S)-3-[7-[(2-fluoro-5-methoxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 121314609
N-[1-[1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethyl]acetamide
CID 142743623
3-[4-[14-(4-aminopiperidin-1-yl)sulfonyltetradecylamino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 175804533
3-[4-[8-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]octylsulfanyl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 167062814
2-(2,6-dioxopiperidin-3-yl)-N-(naphthalen-2-ylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide
CID 67229489

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione (CID 176509524) is 3-[4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione is COc1ccc([C@@H](C)Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3)cc1.
What is the InChIKey of 3-[4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
The InChIKey is FWPTYKURHPLQIK-QMRFKDRMSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-14(15-6-8-17(28-2)9-7-15)23-19-5-3-4-16-12-25(13-18(16)19)20-10-11-21(26)24-22(20)27/h3-9,14,20,23H,10-13H2,1-2H3,(H,24,26,27)/t14-,20?/m1/s1.
What are the key properties of 3-[4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
3-[4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione has a molecular weight of 379.46 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 176509524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).