3-[3-oxo-7-[3-(2-oxopiperazin-1-yl)propyl]-1H-isoindol-2-yl]piperidine-2,6-dione

C20H24N4O4 — CID 167272845

IUPAC3-[3-oxo-7-[3-(2-oxopiperazin-1-yl)propyl]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(CCCN4CCNCC4=O)cccc3C2=O)C(=O)N1
InChIInChI=1S/C20H24N4O4/c25-17-7-6-16(19(27)22-17)24-12-15-13(3-1-5-14(15)20(24)28)4-2-9-23-10-8-21-11-18(23)26/h1,3,5,16,21H,2,4,6-12H2,(H,22,25,27)
InChIKeyRMIXLNYEPQTJCH-UHFFFAOYSA-N
MW384.44 g/mol
LogP-0.19
Rot. Bonds5

About 3-[3-oxo-7-[3-(2-oxopiperazin-1-yl)propyl]-1H-isoindol-2-yl]piperidine-2,6-dione

3-[3-oxo-7-[3-(2-oxopiperazin-1-yl)propyl]-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167272845) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 3-[3-oxo-7-[3-(2-oxopiperazin-1-yl)propyl]-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-oxo-7-[3-(2-oxopiperazin-1-yl)propyl]-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167272845
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name3-[3-oxo-7-[3-(2-oxopiperazin-1-yl)propyl]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(CCCN4CCNCC4=O)cccc3C2=O)C(=O)N1
InChIInChI=1S/C20H24N4O4/c25-17-7-6-16(19(27)22-17)24-12-15-13(3-1-5-14(15)20(24)28)4-2-9-23-10-8-21-11-18(23)26/h1,3,5,16,21H,2,4,6-12H2,(H,22,25,27)
InChIKeyRMIXLNYEPQTJCH-UHFFFAOYSA-N
XLogP-0.19
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[3-oxo-7-[3-(2-oxopiperazin-1-yl)propyl]-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[7-[3-[2-[3-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]propoxy]ethoxy]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 149278520
3-[7-(4-bromobutyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155292459
3-[7-(5-iodopentyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 172548311
3-[3-oxo-7-(piperazin-1-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride
CID 167723330
4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]butanoic acid
CID 156735808
3-[3-oxo-7-[(2-piperazin-1-ylethylamino)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167738612
3-[7-[3-[2-(2-hydroxyethoxy)ethoxy]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155292389
3-[7-[3-(2-methoxyethoxy)propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 147558760
3-[7-[(iodoamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162724516
3-[7-[3-(6-aminohexoxy)propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156735812
3-[7-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride
CID 155292375
4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentyl]piperazine-1-carboxamide
CID 146380171

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-7-[3-(2-oxopiperazin-1-yl)propyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-oxo-7-[3-(2-oxopiperazin-1-yl)propyl]-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167272845) is 3-[3-oxo-7-[3-(2-oxopiperazin-1-yl)propyl]-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-oxo-7-[3-(2-oxopiperazin-1-yl)propyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-oxo-7-[3-(2-oxopiperazin-1-yl)propyl]-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3c(CCCN4CCNCC4=O)cccc3C2=O)C(=O)N1.
What is the InChIKey of 3-[3-oxo-7-[3-(2-oxopiperazin-1-yl)propyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is RMIXLNYEPQTJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c25-17-7-6-16(19(27)22-17)24-12-15-13(3-1-5-14(15)20(24)28)4-2-9-23-10-8-21-11-18(23)26/h1,3,5,16,21H,2,4,6-12H2,(H,22,25,27).
What are the key properties of 3-[3-oxo-7-[3-(2-oxopiperazin-1-yl)propyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[3-oxo-7-[3-(2-oxopiperazin-1-yl)propyl]-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 384.44 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-7-[3-(2-oxopiperazin-1-yl)propyl]-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167272845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).