(3R)-3-(6-ethyl-1-oxoisoquinolin-2-yl)piperidine-2,6-dione

C16H16N2O3 — CID 166478748

IUPAC(3R)-3-(6-ethyl-1-oxoisoquinolin-2-yl)piperidine-2,6-dione
SMILESCCc1ccc2c(=O)n([C@@H]3CCC(=O)NC3=O)ccc2c1
InChIInChI=1S/C16H16N2O3/c1-2-10-3-4-12-11(9-10)7-8-18(16(12)21)13-5-6-14(19)17-15(13)20/h3-4,7-9,13H,2,5-6H2,1H3,(H,17,19,20)/t13-/m1/s1
InChIKeyHHNNXYVLVRWYHC-CYBMUJFWSA-N
MW284.32 g/mol
LogP1.54
Rot. Bonds2

About (3R)-3-(6-ethyl-1-oxoisoquinolin-2-yl)piperidine-2,6-dione

(3R)-3-(6-ethyl-1-oxoisoquinolin-2-yl)piperidine-2,6-dione (PubChem CID 166478748) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is (3R)-3-(6-ethyl-1-oxoisoquinolin-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-(6-ethyl-1-oxoisoquinolin-2-yl)piperidine-2,6-dione
PubChem CID166478748
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name(3R)-3-(6-ethyl-1-oxoisoquinolin-2-yl)piperidine-2,6-dione
SMILESCCc1ccc2c(=O)n([C@@H]3CCC(=O)NC3=O)ccc2c1
InChIInChI=1S/C16H16N2O3/c1-2-10-3-4-12-11(9-10)7-8-18(16(12)21)13-5-6-14(19)17-15(13)20/h3-4,7-9,13H,2,5-6H2,1H3,(H,17,19,20)/t13-/m1/s1
InChIKeyHHNNXYVLVRWYHC-CYBMUJFWSA-N
XLogP1.54
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(6-ethyl-1-oxoisoquinolin-2-yl)piperidine-2,6-dione?
The IUPAC name of (3R)-3-(6-ethyl-1-oxoisoquinolin-2-yl)piperidine-2,6-dione (CID 166478748) is (3R)-3-(6-ethyl-1-oxoisoquinolin-2-yl)piperidine-2,6-dione.
What is the SMILES notation for (3R)-3-(6-ethyl-1-oxoisoquinolin-2-yl)piperidine-2,6-dione?
The canonical SMILES for (3R)-3-(6-ethyl-1-oxoisoquinolin-2-yl)piperidine-2,6-dione is CCc1ccc2c(=O)n([C@@H]3CCC(=O)NC3=O)ccc2c1.
What is the InChIKey of (3R)-3-(6-ethyl-1-oxoisoquinolin-2-yl)piperidine-2,6-dione?
The InChIKey is HHNNXYVLVRWYHC-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-2-10-3-4-12-11(9-10)7-8-18(16(12)21)13-5-6-14(19)17-15(13)20/h3-4,7-9,13H,2,5-6H2,1H3,(H,17,19,20)/t13-/m1/s1.
What are the key properties of (3R)-3-(6-ethyl-1-oxoisoquinolin-2-yl)piperidine-2,6-dione?
(3R)-3-(6-ethyl-1-oxoisoquinolin-2-yl)piperidine-2,6-dione has a molecular weight of 284.32 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(6-ethyl-1-oxoisoquinolin-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 166478748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).