3-[5-[3-(dimethylamino)piperidine-1-carbonyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C21H26N4O4 — CID 167917633

IUPAC3-[5-[3-(dimethylamino)piperidine-1-carbonyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCN(C)C1CCCN(C(=O)c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)C1
InChIInChI=1S/C21H26N4O4/c1-23(2)15-4-3-9-24(12-15)20(28)13-5-6-14-11-25(21(29)16(14)10-13)17-7-8-18(26)22-19(17)27/h5-6,10,15,17H,3-4,7-9,11-12H2,1-2H3,(H,22,26,27)
InChIKeyZOPLYXVGKDMLHZ-UHFFFAOYSA-N
MW398.46 g/mol
LogP0.61
Rot. Bonds3

About 3-[5-[3-(dimethylamino)piperidine-1-carbonyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[5-[3-(dimethylamino)piperidine-1-carbonyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167917633) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 3-[5-[3-(dimethylamino)piperidine-1-carbonyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-[3-(dimethylamino)piperidine-1-carbonyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167917633
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name3-[5-[3-(dimethylamino)piperidine-1-carbonyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCN(C)C1CCCN(C(=O)c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)C1
InChIInChI=1S/C21H26N4O4/c1-23(2)15-4-3-9-24(12-15)20(28)13-5-6-14-11-25(21(29)16(14)10-13)17-7-8-18(26)22-19(17)27/h5-6,10,15,17H,3-4,7-9,11-12H2,1-2H3,(H,22,26,27)
InChIKeyZOPLYXVGKDMLHZ-UHFFFAOYSA-N
XLogP0.61
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[5-[3-(dimethylamino)piperidine-1-carbonyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

3-[3-oxo-5-[(3S)-3-propan-2-ylpiperazine-1-carbonyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167853809
3-[3-oxo-5-(2-phenylazepane-1-carbonyl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166409616
3-[6-(2,5-dihydropyrrole-1-carbonyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146150009
ethane;3-(5-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155599247
1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 166426013
3-[3-oxo-5-[4-(3-propan-2-yloxypiperidine-1-carbonyl)triazol-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167982946
3-[3-oxo-5-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156502172
2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]acetamide
CID 156502027
3-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 166426009
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-methylpiperidine-1-carboxamide
CID 176766864
3-[5-(3-tert-butylpiperidin-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162504339
2-(2,6-dioxopiperidin-3-yl)-N-(4-ethylsulfonylbenzoyl)-3-oxo-1H-isoindole-5-carboxamide
CID 67023258

Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-(dimethylamino)piperidine-1-carbonyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-[3-(dimethylamino)piperidine-1-carbonyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167917633) is 3-[5-[3-(dimethylamino)piperidine-1-carbonyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-[3-(dimethylamino)piperidine-1-carbonyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-[3-(dimethylamino)piperidine-1-carbonyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CN(C)C1CCCN(C(=O)c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)C1.
What is the InChIKey of 3-[5-[3-(dimethylamino)piperidine-1-carbonyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is ZOPLYXVGKDMLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-23(2)15-4-3-9-24(12-15)20(28)13-5-6-14-11-25(21(29)16(14)10-13)17-7-8-18(26)22-19(17)27/h5-6,10,15,17H,3-4,7-9,11-12H2,1-2H3,(H,22,26,27).
What are the key properties of 3-[5-[3-(dimethylamino)piperidine-1-carbonyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[5-[3-(dimethylamino)piperidine-1-carbonyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 398.46 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-(dimethylamino)piperidine-1-carbonyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167917633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).