5-(4-hydroxypiperidine-1-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione

C22H22N2O4 — CID 78802542

IUPAC5-(4-hydroxypiperidine-1-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione
SMILESO=C(c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)N1CCC(O)CC1
InChIInChI=1S/C22H22N2O4/c25-17-9-11-23(12-10-17)20(26)16-6-7-18-19(14-16)22(28)24(21(18)27)13-8-15-4-2-1-3-5-15/h1-7,14,17,25H,8-13H2
InChIKeyVFZFUGTXXSCXAQ-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.12
Rot. Bonds4

About 5-(4-hydroxypiperidine-1-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione

5-(4-hydroxypiperidine-1-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione (PubChem CID 78802542) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 5-(4-hydroxypiperidine-1-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-(4-hydroxypiperidine-1-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione
PubChem CID78802542
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name5-(4-hydroxypiperidine-1-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione
SMILESO=C(c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)N1CCC(O)CC1
InChIInChI=1S/C22H22N2O4/c25-17-9-11-23(12-10-17)20(26)16-6-7-18-19(14-16)22(28)24(21(18)27)13-8-15-4-2-1-3-5-15/h1-7,14,17,25H,8-13H2
InChIKeyVFZFUGTXXSCXAQ-UHFFFAOYSA-N
XLogP2.12
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(4-hydroxypiperidine-1-carbonyl)-2-(2-phenylethyl)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 5-(4-hydroxypiperidine-1-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione?
The IUPAC name of 5-(4-hydroxypiperidine-1-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione (CID 78802542) is 5-(4-hydroxypiperidine-1-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione.
What is the SMILES notation for 5-(4-hydroxypiperidine-1-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione?
The canonical SMILES for 5-(4-hydroxypiperidine-1-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione is O=C(c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)N1CCC(O)CC1.
What is the InChIKey of 5-(4-hydroxypiperidine-1-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione?
The InChIKey is VFZFUGTXXSCXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c25-17-9-11-23(12-10-17)20(26)16-6-7-18-19(14-16)22(28)24(21(18)27)13-8-15-4-2-1-3-5-15/h1-7,14,17,25H,8-13H2.
What are the key properties of 5-(4-hydroxypiperidine-1-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione?
5-(4-hydroxypiperidine-1-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione has a molecular weight of 378.43 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxypiperidine-1-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione is sourced from PubChem (CID 78802542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).