5-(1-deuteriopiperazin-2-yl)-4-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C17H18N4O4 — CID 175936908

IUPAC5-(1-deuteriopiperazin-2-yl)-4-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILES[2H]N1CCNCC1c1ccc2c(c1C1CCC(=O)NC1=O)C(=O)NC2=O
InChIInChI=1S/C17H18N4O4/c22-12-4-3-9(15(23)20-12)13-8(11-7-18-5-6-19-11)1-2-10-14(13)17(25)21-16(10)24/h1-2,9,11,18-19H,3-7H2,(H,20,22,23)(H,21,24,25)/i/hD
InChIKeyBKOSYZREJQZETO-DYCDLGHISA-N
MW343.36 g/mol
LogP-0.68
Rot. Bonds2

About 5-(1-deuteriopiperazin-2-yl)-4-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-(1-deuteriopiperazin-2-yl)-4-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 175936908) has the molecular formula C17H18N4O4 and a molecular weight of 343.36 g/mol. Its IUPAC name is 5-(1-deuteriopiperazin-2-yl)-4-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-(1-deuteriopiperazin-2-yl)-4-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID175936908
Molecular FormulaC17H18N4O4
Molecular Weight343.36 g/mol
Exact Mass343.14
IUPAC Name5-(1-deuteriopiperazin-2-yl)-4-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILES[2H]N1CCNCC1c1ccc2c(c1C1CCC(=O)NC1=O)C(=O)NC2=O
InChIInChI=1S/C17H18N4O4/c22-12-4-3-9(15(23)20-12)13-8(11-7-18-5-6-19-11)1-2-10-14(13)17(25)21-16(10)24/h1-2,9,11,18-19H,3-7H2,(H,20,22,23)(H,21,24,25)/i/hD
InChIKeyBKOSYZREJQZETO-DYCDLGHISA-N
XLogP-0.68
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 5-0.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(1-deuteriopiperazin-2-yl)-4-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione with MolForge

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Related Compounds

4-(2,6-dioxopiperidin-3-yl)-5-piperazin-2-ylisoindole-1,3-dione
CID 175936868
4-(2,6-dioxopiperidin-3-yl)-5-piperidin-4-yloxyisoindole-1,3-dione
CID 170631414
4-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 97303764
3-(2-hydroxyphenyl)piperidine-2,6-dione
CID 171127243
3-(6-tert-butyl-2-methyl-3-pyridinyl)piperidine-2,6-dione
CID 170144934
4-cyclopropylisoindole-1,3-dione
CID 54298107
3-[3-bromo-2-(trifluoromethyl)phenyl]piperidine-2,6-dione
CID 171846052
3-(2-fluoro-3-propan-2-ylphenyl)piperidine-2,6-dione
CID 170184885
3-(2-hydroxy-4-methylphenyl)piperidine-2,6-dione
CID 171127244
ethane;3-(5-methylpyrimidin-2-yl)piperidine-2,6-dione
CID 171565294
3-(4-bromo-2,6-dichlorophenyl)piperidine-2,6-dione
CID 171541392
3-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]piperidine-2,6-dione
CID 171397543

Frequently Asked Questions

What is the IUPAC name of 5-(1-deuteriopiperazin-2-yl)-4-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 5-(1-deuteriopiperazin-2-yl)-4-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 175936908) is 5-(1-deuteriopiperazin-2-yl)-4-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 5-(1-deuteriopiperazin-2-yl)-4-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 5-(1-deuteriopiperazin-2-yl)-4-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is [2H]N1CCNCC1c1ccc2c(c1C1CCC(=O)NC1=O)C(=O)NC2=O.
What is the InChIKey of 5-(1-deuteriopiperazin-2-yl)-4-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is BKOSYZREJQZETO-DYCDLGHISA-N. The full InChI is InChI=1S/C17H18N4O4/c22-12-4-3-9(15(23)20-12)13-8(11-7-18-5-6-19-11)1-2-10-14(13)17(25)21-16(10)24/h1-2,9,11,18-19H,3-7H2,(H,20,22,23)(H,21,24,25)/i/hD.
What are the key properties of 5-(1-deuteriopiperazin-2-yl)-4-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
5-(1-deuteriopiperazin-2-yl)-4-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 343.36 g/mol, XLogP of -0.68, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-deuteriopiperazin-2-yl)-4-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 175936908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).