2-(3-methylbutyl)-5-(piperidine-1-carbonyl)isoindole-1,3-dione

C19H24N2O3 — CID 24979956

IUPAC2-(3-methylbutyl)-5-(piperidine-1-carbonyl)isoindole-1,3-dione
SMILESCC(C)CCN1C(=O)c2ccc(C(=O)N3CCCCC3)cc2C1=O
InChIInChI=1S/C19H24N2O3/c1-13(2)8-11-21-18(23)15-7-6-14(12-16(15)19(21)24)17(22)20-9-4-3-5-10-20/h6-7,12-13H,3-5,8-11H2,1-2H3
InChIKeyDVTJTAMRCRIBCR-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.95
Rot. Bonds4

About 2-(3-methylbutyl)-5-(piperidine-1-carbonyl)isoindole-1,3-dione

2-(3-methylbutyl)-5-(piperidine-1-carbonyl)isoindole-1,3-dione (PubChem CID 24979956) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-(3-methylbutyl)-5-(piperidine-1-carbonyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-methylbutyl)-5-(piperidine-1-carbonyl)isoindole-1,3-dione
PubChem CID24979956
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name2-(3-methylbutyl)-5-(piperidine-1-carbonyl)isoindole-1,3-dione
SMILESCC(C)CCN1C(=O)c2ccc(C(=O)N3CCCCC3)cc2C1=O
InChIInChI=1S/C19H24N2O3/c1-13(2)8-11-21-18(23)15-7-6-14(12-16(15)19(21)24)17(22)20-9-4-3-5-10-20/h6-7,12-13H,3-5,8-11H2,1-2H3
InChIKeyDVTJTAMRCRIBCR-UHFFFAOYSA-N
XLogP2.95
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutyl)-5-(piperidine-1-carbonyl)isoindole-1,3-dione?
The IUPAC name of 2-(3-methylbutyl)-5-(piperidine-1-carbonyl)isoindole-1,3-dione (CID 24979956) is 2-(3-methylbutyl)-5-(piperidine-1-carbonyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(3-methylbutyl)-5-(piperidine-1-carbonyl)isoindole-1,3-dione?
The canonical SMILES for 2-(3-methylbutyl)-5-(piperidine-1-carbonyl)isoindole-1,3-dione is CC(C)CCN1C(=O)c2ccc(C(=O)N3CCCCC3)cc2C1=O.
What is the InChIKey of 2-(3-methylbutyl)-5-(piperidine-1-carbonyl)isoindole-1,3-dione?
The InChIKey is DVTJTAMRCRIBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13(2)8-11-21-18(23)15-7-6-14(12-16(15)19(21)24)17(22)20-9-4-3-5-10-20/h6-7,12-13H,3-5,8-11H2,1-2H3.
What are the key properties of 2-(3-methylbutyl)-5-(piperidine-1-carbonyl)isoindole-1,3-dione?
2-(3-methylbutyl)-5-(piperidine-1-carbonyl)isoindole-1,3-dione has a molecular weight of 328.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)-5-(piperidine-1-carbonyl)isoindole-1,3-dione is sourced from PubChem (CID 24979956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).