2-[2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]propan-2-yl]isoindole-1,3-dione

C20H26N2O4 — CID 84572754

IUPAC2-[2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]propan-2-yl]isoindole-1,3-dione
SMILESCC1CCN(C(=O)COCC(C)(C)N2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C20H26N2O4/c1-14-8-10-21(11-9-14)17(23)12-26-13-20(2,3)22-18(24)15-6-4-5-7-16(15)19(22)25/h4-7,14H,8-13H2,1-3H3
InChIKeyNYNCFHBUCCMKHQ-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.34
Rot. Bonds5

About 2-[2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]propan-2-yl]isoindole-1,3-dione

2-[2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]propan-2-yl]isoindole-1,3-dione (PubChem CID 84572754) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]propan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]propan-2-yl]isoindole-1,3-dione
PubChem CID84572754
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name2-[2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]propan-2-yl]isoindole-1,3-dione
SMILESCC1CCN(C(=O)COCC(C)(C)N2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C20H26N2O4/c1-14-8-10-21(11-9-14)17(23)12-26-13-20(2,3)22-18(24)15-6-4-5-7-16(15)19(22)25/h4-7,14H,8-13H2,1-3H3
InChIKeyNYNCFHBUCCMKHQ-UHFFFAOYSA-N
XLogP2.34
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]propan-2-yl]isoindole-1,3-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 2-[2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]propan-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]propan-2-yl]isoindole-1,3-dione (CID 84572754) is 2-[2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]propan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]propan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]propan-2-yl]isoindole-1,3-dione is CC1CCN(C(=O)COCC(C)(C)N2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of 2-[2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]propan-2-yl]isoindole-1,3-dione?
The InChIKey is NYNCFHBUCCMKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-14-8-10-21(11-9-14)17(23)12-26-13-20(2,3)22-18(24)15-6-4-5-7-16(15)19(22)25/h4-7,14H,8-13H2,1-3H3.
What are the key properties of 2-[2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]propan-2-yl]isoindole-1,3-dione?
2-[2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]propan-2-yl]isoindole-1,3-dione has a molecular weight of 358.44 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]propan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 84572754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).