3-[4-[2-(methylamino)ethylamino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione

C16H22N4O2 — CID 175697338

IUPAC3-[4-[2-(methylamino)ethylamino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
SMILESCNCCNc1cccc2c1CN(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C16H22N4O2/c1-17-7-8-18-13-4-2-3-11-9-20(10-12(11)13)14-5-6-15(21)19-16(14)22/h2-4,14,17-18H,5-10H2,1H3,(H,19,21,22)
InChIKeyRCEWNORYJIRRQV-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.44
Rot. Bonds5

About 3-[4-[2-(methylamino)ethylamino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione

3-[4-[2-(methylamino)ethylamino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione (PubChem CID 175697338) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 3-[4-[2-(methylamino)ethylamino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[2-(methylamino)ethylamino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
PubChem CID175697338
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name3-[4-[2-(methylamino)ethylamino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
SMILESCNCCNc1cccc2c1CN(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C16H22N4O2/c1-17-7-8-18-13-4-2-3-11-9-20(10-12(11)13)14-5-6-15(21)19-16(14)22/h2-4,14,17-18H,5-10H2,1H3,(H,19,21,22)
InChIKeyRCEWNORYJIRRQV-UHFFFAOYSA-N
XLogP0.44
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.44
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-[4-(4-piperazin-1-ylbutylamino)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 154639394
3-[4-[[4-(chloromethyl)phenyl]methylamino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 151513636
3-[4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 176509524
3-[4-[14-(4-aminopiperidin-1-yl)sulfonyltetradecylamino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 175804533
3-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 130335320
3-[4-(3-aminopropoxy)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 175855337
3-[7-(2-chloroethylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 142407873
3-[4-(3,6-diazabicyclo[3.1.1]heptan-6-ylmethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 175906632
2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-N-methylacetamide
CID 171491512
2-(2,6-dioxopiperidin-3-yl)-N-(phenylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide
CID 67229967
3-[1-hydroxy-4-(2-hydroxyethylamino)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 170143097
3-[7-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 131999712

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(methylamino)ethylamino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[4-[2-(methylamino)ethylamino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione (CID 175697338) is 3-[4-[2-(methylamino)ethylamino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[2-(methylamino)ethylamino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[2-(methylamino)ethylamino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione is CNCCNc1cccc2c1CN(C1CCC(=O)NC1=O)C2.
What is the InChIKey of 3-[4-[2-(methylamino)ethylamino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
The InChIKey is RCEWNORYJIRRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-17-7-8-18-13-4-2-3-11-9-20(10-12(11)13)14-5-6-15(21)19-16(14)22/h2-4,14,17-18H,5-10H2,1H3,(H,19,21,22).
What are the key properties of 3-[4-[2-(methylamino)ethylamino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
3-[4-[2-(methylamino)ethylamino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione has a molecular weight of 302.38 g/mol, XLogP of 0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(methylamino)ethylamino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 175697338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).