5,6-dichloro-2-(4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)isoindole-1,3-dione

C19H22Cl2N2O3 — CID 2902767

IUPAC5,6-dichloro-2-(4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)isoindole-1,3-dione
SMILESCC(C)CC(C(=O)N1CCCCC1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C19H22Cl2N2O3/c1-11(2)8-16(19(26)22-6-4-3-5-7-22)23-17(24)12-9-14(20)15(21)10-13(12)18(23)25/h9-11,16H,3-8H2,1-2H3
InChIKeyNKUNAQPQTIUXNA-UHFFFAOYSA-N
MW397.30 g/mol
LogP4.02
Rot. Bonds4

About 5,6-dichloro-2-(4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)isoindole-1,3-dione

5,6-dichloro-2-(4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)isoindole-1,3-dione (PubChem CID 2902767) has the molecular formula C19H22Cl2N2O3 and a molecular weight of 397.30 g/mol. Its IUPAC name is 5,6-dichloro-2-(4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name5,6-dichloro-2-(4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)isoindole-1,3-dione
PubChem CID2902767
Molecular FormulaC19H22Cl2N2O3
Molecular Weight397.30 g/mol
Exact Mass396.10
IUPAC Name5,6-dichloro-2-(4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)isoindole-1,3-dione
SMILESCC(C)CC(C(=O)N1CCCCC1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C19H22Cl2N2O3/c1-11(2)8-16(19(26)22-6-4-3-5-7-22)23-17(24)12-9-14(20)15(21)10-13(12)18(23)25/h9-11,16H,3-8H2,1-2H3
InChIKeyNKUNAQPQTIUXNA-UHFFFAOYSA-N
XLogP4.02
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.30
LogP ≤ 54.02
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 5,6-dichloro-2-(4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)isoindole-1,3-dione?
The IUPAC name of 5,6-dichloro-2-(4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)isoindole-1,3-dione (CID 2902767) is 5,6-dichloro-2-(4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)isoindole-1,3-dione.
What is the SMILES notation for 5,6-dichloro-2-(4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)isoindole-1,3-dione?
The canonical SMILES for 5,6-dichloro-2-(4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)isoindole-1,3-dione is CC(C)CC(C(=O)N1CCCCC1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O.
What is the InChIKey of 5,6-dichloro-2-(4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)isoindole-1,3-dione?
The InChIKey is NKUNAQPQTIUXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O3/c1-11(2)8-16(19(26)22-6-4-3-5-7-22)23-17(24)12-9-14(20)15(21)10-13(12)18(23)25/h9-11,16H,3-8H2,1-2H3.
What are the key properties of 5,6-dichloro-2-(4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)isoindole-1,3-dione?
5,6-dichloro-2-(4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)isoindole-1,3-dione has a molecular weight of 397.30 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-(4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)isoindole-1,3-dione is sourced from PubChem (CID 2902767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).