3-(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)piperidine-2,6-dione

C16H20N2O2 — CID 154688358

IUPAC3-(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)piperidine-2,6-dione
SMILESCc1cc2c(cc1C)CN(C1CCC(=O)NC1=O)CC2
InChIInChI=1S/C16H20N2O2/c1-10-7-12-5-6-18(9-13(12)8-11(10)2)14-3-4-15(19)17-16(14)20/h7-8,14H,3-6,9H2,1-2H3,(H,17,19,20)
InChIKeyCUDHZNWNUZZHFU-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.47
Rot. Bonds1

About 3-(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)piperidine-2,6-dione

3-(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)piperidine-2,6-dione (PubChem CID 154688358) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)piperidine-2,6-dione
PubChem CID154688358
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)piperidine-2,6-dione
SMILESCc1cc2c(cc1C)CN(C1CCC(=O)NC1=O)CC2
InChIInChI=1S/C16H20N2O2/c1-10-7-12-5-6-18(9-13(12)8-11(10)2)14-3-4-15(19)17-16(14)20/h7-8,14H,3-6,9H2,1-2H3,(H,17,19,20)
InChIKeyCUDHZNWNUZZHFU-UHFFFAOYSA-N
XLogP1.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-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
N-[(3,4-dimethylphenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide
CID 67023299
3-(3-methylpiperidin-1-yl)piperidine-2,6-dione
CID 170639071
3-(5-piperidin-4-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 167293608
1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindol-5-yl]piperidine-4-carbaldehyde
CID 176695485
3-(4-methylpiperazin-1-yl)piperidine-2,6-dione;3-piperazin-1-ylpiperidine-2,6-dione
CID 159200633
3-[5-(3,8-diazabicyclo[3.2.1]octan-3-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 170158044
3-[5-(3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 170158027
3-[5-[(3S)-3-aminopiperidin-1-yl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 175880578
3-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 130335320
3-[5-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 166069947
3-[5-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 175906497

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)piperidine-2,6-dione (CID 154688358) is 3-(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)piperidine-2,6-dione is Cc1cc2c(cc1C)CN(C1CCC(=O)NC1=O)CC2.
What is the InChIKey of 3-(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)piperidine-2,6-dione?
The InChIKey is CUDHZNWNUZZHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10-7-12-5-6-18(9-13(12)8-11(10)2)14-3-4-15(19)17-16(14)20/h7-8,14H,3-6,9H2,1-2H3,(H,17,19,20).
What are the key properties of 3-(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)piperidine-2,6-dione?
3-(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)piperidine-2,6-dione has a molecular weight of 272.35 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 154688358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).