2-[4-(4-methylpiperidine-1-carbonyl)phenyl]isoindole-1,3-dione

C21H20N2O3 — CID 691732

IUPAC2-[4-(4-methylpiperidine-1-carbonyl)phenyl]isoindole-1,3-dione
SMILESCC1CCN(C(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)CC1
InChIInChI=1S/C21H20N2O3/c1-14-10-12-22(13-11-14)19(24)15-6-8-16(9-7-15)23-20(25)17-4-2-3-5-18(17)21(23)26/h2-9,14H,10-13H2,1H3
InChIKeyZATOVBKWHSTYFD-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.36
Rot. Bonds2

About 2-[4-(4-methylpiperidine-1-carbonyl)phenyl]isoindole-1,3-dione

2-[4-(4-methylpiperidine-1-carbonyl)phenyl]isoindole-1,3-dione (PubChem CID 691732) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[4-(4-methylpiperidine-1-carbonyl)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-(4-methylpiperidine-1-carbonyl)phenyl]isoindole-1,3-dione
PubChem CID691732
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name2-[4-(4-methylpiperidine-1-carbonyl)phenyl]isoindole-1,3-dione
SMILESCC1CCN(C(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)CC1
InChIInChI=1S/C21H20N2O3/c1-14-10-12-22(13-11-14)19(24)15-6-8-16(9-7-15)23-20(25)17-4-2-3-5-18(17)21(23)26/h2-9,14H,10-13H2,1H3
InChIKeyZATOVBKWHSTYFD-UHFFFAOYSA-N
XLogP3.36
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.36
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-[4-(4-methylpiperidine-1-carbonyl)phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-(4-methylpiperidine-1-carbonyl)phenyl]isoindole-1,3-dione (CID 691732) is 2-[4-(4-methylpiperidine-1-carbonyl)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-(4-methylpiperidine-1-carbonyl)phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-(4-methylpiperidine-1-carbonyl)phenyl]isoindole-1,3-dione is CC1CCN(C(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)CC1.
What is the InChIKey of 2-[4-(4-methylpiperidine-1-carbonyl)phenyl]isoindole-1,3-dione?
The InChIKey is ZATOVBKWHSTYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-14-10-12-22(13-11-14)19(24)15-6-8-16(9-7-15)23-20(25)17-4-2-3-5-18(17)21(23)26/h2-9,14H,10-13H2,1H3.
What are the key properties of 2-[4-(4-methylpiperidine-1-carbonyl)phenyl]isoindole-1,3-dione?
2-[4-(4-methylpiperidine-1-carbonyl)phenyl]isoindole-1,3-dione has a molecular weight of 348.40 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpiperidine-1-carbonyl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 691732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).