6-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]-[1,3]dioxolo[4,5-f]isoindole-5,7-dione

C22H23N3O4 — CID 72944215

IUPAC6-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]-[1,3]dioxolo[4,5-f]isoindole-5,7-dione
SMILESO=C1c2cc3c(cc2C(=O)N1CCC1CCN(Cc2ccccn2)CC1)OCO3
InChIInChI=1S/C22H23N3O4/c26-21-17-11-19-20(29-14-28-19)12-18(17)22(27)25(21)10-6-15-4-8-24(9-5-15)13-16-3-1-2-7-23-16/h1-3,7,11-12,15H,4-6,8-10,13-14H2
InChIKeyPRKLNODBWLOXQS-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.71
Rot. Bonds5

About 6-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]-[1,3]dioxolo[4,5-f]isoindole-5,7-dione

6-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]-[1,3]dioxolo[4,5-f]isoindole-5,7-dione (PubChem CID 72944215) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 6-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]-[1,3]dioxolo[4,5-f]isoindole-5,7-dione.

Molecular Properties

Compound Name6-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]-[1,3]dioxolo[4,5-f]isoindole-5,7-dione
PubChem CID72944215
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name6-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]-[1,3]dioxolo[4,5-f]isoindole-5,7-dione
SMILESO=C1c2cc3c(cc2C(=O)N1CCC1CCN(Cc2ccccn2)CC1)OCO3
InChIInChI=1S/C22H23N3O4/c26-21-17-11-19-20(29-14-28-19)12-18(17)22(27)25(21)10-6-15-4-8-24(9-5-15)13-16-3-1-2-7-23-16/h1-3,7,11-12,15H,4-6,8-10,13-14H2
InChIKeyPRKLNODBWLOXQS-UHFFFAOYSA-N
XLogP2.71
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]-[1,3]dioxolo[4,5-f]isoindole-5,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]-[1,3]dioxolo[4,5-f]isoindole-5,7-dione?
The IUPAC name of 6-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]-[1,3]dioxolo[4,5-f]isoindole-5,7-dione (CID 72944215) is 6-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]-[1,3]dioxolo[4,5-f]isoindole-5,7-dione.
What is the SMILES notation for 6-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]-[1,3]dioxolo[4,5-f]isoindole-5,7-dione?
The canonical SMILES for 6-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]-[1,3]dioxolo[4,5-f]isoindole-5,7-dione is O=C1c2cc3c(cc2C(=O)N1CCC1CCN(Cc2ccccn2)CC1)OCO3.
What is the InChIKey of 6-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]-[1,3]dioxolo[4,5-f]isoindole-5,7-dione?
The InChIKey is PRKLNODBWLOXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c26-21-17-11-19-20(29-14-28-19)12-18(17)22(27)25(21)10-6-15-4-8-24(9-5-15)13-16-3-1-2-7-23-16/h1-3,7,11-12,15H,4-6,8-10,13-14H2.
What are the key properties of 6-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]-[1,3]dioxolo[4,5-f]isoindole-5,7-dione?
6-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]-[1,3]dioxolo[4,5-f]isoindole-5,7-dione has a molecular weight of 393.44 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]-[1,3]dioxolo[4,5-f]isoindole-5,7-dione is sourced from PubChem (CID 72944215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).