3-[5-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione

C21H30N4O3 — CID 175906497

IUPAC3-[5-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3ccc(CN4CCN(CCCO)CC4)cc3C2)C(=O)N1
InChIInChI=1S/C21H30N4O3/c26-11-1-6-23-7-9-24(10-8-23)13-16-2-3-17-14-25(15-18(17)12-16)19-4-5-20(27)22-21(19)28/h2-3,12,19,26H,1,4-11,13-15H2,(H,22,27,28)
InChIKeyWYXNQJIXEZFCMK-UHFFFAOYSA-N
MW386.50 g/mol
LogP0.31
Rot. Bonds6

About 3-[5-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione

3-[5-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione (PubChem CID 175906497) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 3-[5-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
PubChem CID175906497
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name3-[5-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3ccc(CN4CCN(CCCO)CC4)cc3C2)C(=O)N1
InChIInChI=1S/C21H30N4O3/c26-11-1-6-23-7-9-24(10-8-23)13-16-2-3-17-14-25(15-18(17)12-16)19-4-5-20(27)22-21(19)28/h2-3,12,19,26H,1,4-11,13-15H2,(H,22,27,28)
InChIKeyWYXNQJIXEZFCMK-UHFFFAOYSA-N
XLogP0.31
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[5-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[5-(aminomethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 171058791
3-[6-[[4-(3-aminopropyl)piperazin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167740272
3-[5-[[4-(5-aminopentyl)piperazin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167730458
3-[5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 159474291
3-[5-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 166069947
2-(2,6-dioxopiperidin-3-yl)-5-[(4-methylpiperazin-1-yl)methyl]isoindole-1,3-dione
CID 168872542
3-[3-oxo-6-[[4-(3-piperidin-3-ylpropyl)piperazin-1-yl]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167740387
3-[5-[4-(azetidin-3-ylmethyl)piperazin-1-yl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 175880194
3-[6-[[4-(4-aminocyclohexyl)piperazin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167715037
3-(5-piperidin-4-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 167293608
3-[3-oxo-6-[[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167727516
1-(2,5-dichlorophenyl)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindol-5-yl]methyl]urea
CID 135264654

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione (CID 175906497) is 3-[5-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3ccc(CN4CCN(CCCO)CC4)cc3C2)C(=O)N1.
What is the InChIKey of 3-[5-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
The InChIKey is WYXNQJIXEZFCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c26-11-1-6-23-7-9-24(10-8-23)13-16-2-3-17-14-25(15-18(17)12-16)19-4-5-20(27)22-21(19)28/h2-3,12,19,26H,1,4-11,13-15H2,(H,22,27,28).
What are the key properties of 3-[5-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
3-[5-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione has a molecular weight of 386.50 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 175906497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).