3-[4-(2-piperazin-1-ylethoxy)isoindol-2-yl]piperidine-2,6-dione

C19H24N4O3 — CID 175855349

IUPAC3-[4-(2-piperazin-1-ylethoxy)isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(n2cc3cccc(OCCN4CCNCC4)c3c2)C(=O)N1
InChIInChI=1S/C19H24N4O3/c24-18-5-4-16(19(25)21-18)23-12-14-2-1-3-17(15(14)13-23)26-11-10-22-8-6-20-7-9-22/h1-3,12-13,16,20H,4-11H2,(H,21,24,25)
InChIKeyMWYLIGDFOOFYCP-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.90
Rot. Bonds5

About 3-[4-(2-piperazin-1-ylethoxy)isoindol-2-yl]piperidine-2,6-dione

3-[4-(2-piperazin-1-ylethoxy)isoindol-2-yl]piperidine-2,6-dione (PubChem CID 175855349) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-[4-(2-piperazin-1-ylethoxy)isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-(2-piperazin-1-ylethoxy)isoindol-2-yl]piperidine-2,6-dione
PubChem CID175855349
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name3-[4-(2-piperazin-1-ylethoxy)isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(n2cc3cccc(OCCN4CCNCC4)c3c2)C(=O)N1
InChIInChI=1S/C19H24N4O3/c24-18-5-4-16(19(25)21-18)23-12-14-2-1-3-17(15(14)13-23)26-11-10-22-8-6-20-7-9-22/h1-3,12-13,16,20H,4-11H2,(H,21,24,25)
InChIKeyMWYLIGDFOOFYCP-UHFFFAOYSA-N
XLogP0.90
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-4-(2-piperazin-1-ylethoxy)isoindole-1,3-dione
CID 155292487
3-(4-fluoroisoindol-2-yl)piperidine-2,6-dione
CID 150148571
2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]isoindole-1,3-dione
CID 155292499
2-(2,6-dioxopiperidin-3-yl)-4-[2-(2-piperazin-1-ylethoxy)ethoxy]isoindole-1,3-dione;dihydrochloride
CID 155292496
1-(2-naphthalen-1-yloxyethyl)piperidin-4-one
CID 39368285
8-(2-piperazin-1-ylethoxy)quinoline
CID 24849055
3-[4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]isoindol-2-yl]piperidine-2,6-dione
CID 155680726
4-[3-[(3R)-3-aminopyrrolidin-1-yl]propoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 177098322
2-[(3S)-2,6-dioxopiperidin-3-yl]-4-[5-(2-piperazin-1-ylethoxy)pentyl]isoindole-1,3-dione
CID 155673288
2-(2,6-dioxopiperidin-3-yl)-4-(2-piperazin-1-ylethylamino)isoindole-1,3-dione
CID 150346621
1-[2-(2,3-difluorophenoxy)ethyl]piperazine
CID 63037635
2-(2,6-dioxopiperidin-3-yl)-4-(2-piperazin-1-ylethylsulfanyl)isoindole-1,3-dione
CID 175716595

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-piperazin-1-ylethoxy)isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[4-(2-piperazin-1-ylethoxy)isoindol-2-yl]piperidine-2,6-dione (CID 175855349) is 3-[4-(2-piperazin-1-ylethoxy)isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-(2-piperazin-1-ylethoxy)isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-(2-piperazin-1-ylethoxy)isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(n2cc3cccc(OCCN4CCNCC4)c3c2)C(=O)N1.
What is the InChIKey of 3-[4-(2-piperazin-1-ylethoxy)isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is MWYLIGDFOOFYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c24-18-5-4-16(19(25)21-18)23-12-14-2-1-3-17(15(14)13-23)26-11-10-22-8-6-20-7-9-22/h1-3,12-13,16,20H,4-11H2,(H,21,24,25).
What are the key properties of 3-[4-(2-piperazin-1-ylethoxy)isoindol-2-yl]piperidine-2,6-dione?
3-[4-(2-piperazin-1-ylethoxy)isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 356.43 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-piperazin-1-ylethoxy)isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 175855349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).