(3R)-1-methyl-3-(3-oxo-7-propan-2-yl-3a,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione

C17H22N2O3 — CID 163763404

IUPAC(3R)-1-methyl-3-(3-oxo-7-propan-2-yl-3a,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCC(C)C1=CC=CC2C(=O)N([C@@H]3CCC(=O)N(C)C3=O)CC12
InChIInChI=1S/C17H22N2O3/c1-10(2)11-5-4-6-12-13(11)9-19(16(12)21)14-7-8-15(20)18(3)17(14)22/h4-6,10,12-14H,7-9H2,1-3H3/t12?,13?,14-/m1/s1
InChIKeyMADULGIZGFWNNN-JXQTWKCFSA-N
MW302.37 g/mol
LogP1.36
Rot. Bonds2

About (3R)-1-methyl-3-(3-oxo-7-propan-2-yl-3a,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione

(3R)-1-methyl-3-(3-oxo-7-propan-2-yl-3a,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 163763404) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is (3R)-1-methyl-3-(3-oxo-7-propan-2-yl-3a,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-1-methyl-3-(3-oxo-7-propan-2-yl-3a,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione
PubChem CID163763404
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name(3R)-1-methyl-3-(3-oxo-7-propan-2-yl-3a,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCC(C)C1=CC=CC2C(=O)N([C@@H]3CCC(=O)N(C)C3=O)CC12
InChIInChI=1S/C17H22N2O3/c1-10(2)11-5-4-6-12-13(11)9-19(16(12)21)14-7-8-15(20)18(3)17(14)22/h4-6,10,12-14H,7-9H2,1-3H3/t12?,13?,14-/m1/s1
InChIKeyMADULGIZGFWNNN-JXQTWKCFSA-N
XLogP1.36
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 3056763
CID 3056763
CID 10426036
CID 10426036
CID 166683056
CID 166683056
CID 312044
CID 312044
CID 4154919
CID 4154919
CID 132837697
CID 132837697
CID 60096075
CID 60096075
CID 68222147
CID 68222147
CID 71021937
CID 71021937
CID 141245425
CID 141245425
CID 141245434
CID 141245434
CID 141245438
CID 141245438

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-3-(3-oxo-7-propan-2-yl-3a,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of (3R)-1-methyl-3-(3-oxo-7-propan-2-yl-3a,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione (CID 163763404) is (3R)-1-methyl-3-(3-oxo-7-propan-2-yl-3a,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for (3R)-1-methyl-3-(3-oxo-7-propan-2-yl-3a,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for (3R)-1-methyl-3-(3-oxo-7-propan-2-yl-3a,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione is CC(C)C1=CC=CC2C(=O)N([C@@H]3CCC(=O)N(C)C3=O)CC12.
What is the InChIKey of (3R)-1-methyl-3-(3-oxo-7-propan-2-yl-3a,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is MADULGIZGFWNNN-JXQTWKCFSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-10(2)11-5-4-6-12-13(11)9-19(16(12)21)14-7-8-15(20)18(3)17(14)22/h4-6,10,12-14H,7-9H2,1-3H3/t12?,13?,14-/m1/s1.
What are the key properties of (3R)-1-methyl-3-(3-oxo-7-propan-2-yl-3a,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione?
(3R)-1-methyl-3-(3-oxo-7-propan-2-yl-3a,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 302.37 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-3-(3-oxo-7-propan-2-yl-3a,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 163763404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).