1-[4-(1,3-dihydroisoindol-2-yl)butyl]-4,4-dimethylpiperidine-2,6-dione

C19H26N2O2 — CID 134133064

IUPAC1-[4-(1,3-dihydroisoindol-2-yl)butyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(CCCCN2Cc3ccccc3C2)C(=O)C1
InChIInChI=1S/C19H26N2O2/c1-19(2)11-17(22)21(18(23)12-19)10-6-5-9-20-13-15-7-3-4-8-16(15)14-20/h3-4,7-8H,5-6,9-14H2,1-2H3
InChIKeyHWHPJDOZGZLVJB-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.96
Rot. Bonds5

About 1-[4-(1,3-dihydroisoindol-2-yl)butyl]-4,4-dimethylpiperidine-2,6-dione

1-[4-(1,3-dihydroisoindol-2-yl)butyl]-4,4-dimethylpiperidine-2,6-dione (PubChem CID 134133064) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[4-(1,3-dihydroisoindol-2-yl)butyl]-4,4-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[4-(1,3-dihydroisoindol-2-yl)butyl]-4,4-dimethylpiperidine-2,6-dione
PubChem CID134133064
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1-[4-(1,3-dihydroisoindol-2-yl)butyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(CCCCN2Cc3ccccc3C2)C(=O)C1
InChIInChI=1S/C19H26N2O2/c1-19(2)11-17(22)21(18(23)12-19)10-6-5-9-20-13-15-7-3-4-8-16(15)14-20/h3-4,7-8H,5-6,9-14H2,1-2H3
InChIKeyHWHPJDOZGZLVJB-UHFFFAOYSA-N
XLogP2.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-dihydroisoindol-2-yl)butyl]-4,4-dimethylpiperidine-2,6-dione?
The IUPAC name of 1-[4-(1,3-dihydroisoindol-2-yl)butyl]-4,4-dimethylpiperidine-2,6-dione (CID 134133064) is 1-[4-(1,3-dihydroisoindol-2-yl)butyl]-4,4-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 1-[4-(1,3-dihydroisoindol-2-yl)butyl]-4,4-dimethylpiperidine-2,6-dione?
The canonical SMILES for 1-[4-(1,3-dihydroisoindol-2-yl)butyl]-4,4-dimethylpiperidine-2,6-dione is CC1(C)CC(=O)N(CCCCN2Cc3ccccc3C2)C(=O)C1.
What is the InChIKey of 1-[4-(1,3-dihydroisoindol-2-yl)butyl]-4,4-dimethylpiperidine-2,6-dione?
The InChIKey is HWHPJDOZGZLVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-19(2)11-17(22)21(18(23)12-19)10-6-5-9-20-13-15-7-3-4-8-16(15)14-20/h3-4,7-8H,5-6,9-14H2,1-2H3.
What are the key properties of 1-[4-(1,3-dihydroisoindol-2-yl)butyl]-4,4-dimethylpiperidine-2,6-dione?
1-[4-(1,3-dihydroisoindol-2-yl)butyl]-4,4-dimethylpiperidine-2,6-dione has a molecular weight of 314.43 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-dihydroisoindol-2-yl)butyl]-4,4-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 134133064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).