2-[(3S)-1-(2-hydroxy-3-phenylpropyl)-5-methyl-2-oxopiperidin-3-yl]isoindole-1,3-dione

C23H24N2O4 — CID 58560181

IUPAC2-[(3S)-1-(2-hydroxy-3-phenylpropyl)-5-methyl-2-oxopiperidin-3-yl]isoindole-1,3-dione
SMILESCC1C[C@H](N2C(=O)c3ccccc3C2=O)C(=O)N(CC(O)Cc2ccccc2)C1
InChIInChI=1S/C23H24N2O4/c1-15-11-20(25-21(27)18-9-5-6-10-19(18)22(25)28)23(29)24(13-15)14-17(26)12-16-7-3-2-4-8-16/h2-10,15,17,20,26H,11-14H2,1H3/t15?,17?,20-/m0/s1
InChIKeyNWEZMKYUDPTEFW-LAGYLCCXSA-N
MW392.46 g/mol
LogP2.12
Rot. Bonds5

About 2-[(3S)-1-(2-hydroxy-3-phenylpropyl)-5-methyl-2-oxopiperidin-3-yl]isoindole-1,3-dione

2-[(3S)-1-(2-hydroxy-3-phenylpropyl)-5-methyl-2-oxopiperidin-3-yl]isoindole-1,3-dione (PubChem CID 58560181) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[(3S)-1-(2-hydroxy-3-phenylpropyl)-5-methyl-2-oxopiperidin-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(3S)-1-(2-hydroxy-3-phenylpropyl)-5-methyl-2-oxopiperidin-3-yl]isoindole-1,3-dione
PubChem CID58560181
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name2-[(3S)-1-(2-hydroxy-3-phenylpropyl)-5-methyl-2-oxopiperidin-3-yl]isoindole-1,3-dione
SMILESCC1C[C@H](N2C(=O)c3ccccc3C2=O)C(=O)N(CC(O)Cc2ccccc2)C1
InChIInChI=1S/C23H24N2O4/c1-15-11-20(25-21(27)18-9-5-6-10-19(18)22(25)28)23(29)24(13-15)14-17(26)12-16-7-3-2-4-8-16/h2-10,15,17,20,26H,11-14H2,1H3/t15?,17?,20-/m0/s1
InChIKeyNWEZMKYUDPTEFW-LAGYLCCXSA-N
XLogP2.12
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(3S)-1-(2-hydroxy-3-phenylpropyl)-5-methyl-2-oxopiperidin-3-yl]isoindole-1,3-dione?
The IUPAC name of 2-[(3S)-1-(2-hydroxy-3-phenylpropyl)-5-methyl-2-oxopiperidin-3-yl]isoindole-1,3-dione (CID 58560181) is 2-[(3S)-1-(2-hydroxy-3-phenylpropyl)-5-methyl-2-oxopiperidin-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(3S)-1-(2-hydroxy-3-phenylpropyl)-5-methyl-2-oxopiperidin-3-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[(3S)-1-(2-hydroxy-3-phenylpropyl)-5-methyl-2-oxopiperidin-3-yl]isoindole-1,3-dione is CC1C[C@H](N2C(=O)c3ccccc3C2=O)C(=O)N(CC(O)Cc2ccccc2)C1.
What is the InChIKey of 2-[(3S)-1-(2-hydroxy-3-phenylpropyl)-5-methyl-2-oxopiperidin-3-yl]isoindole-1,3-dione?
The InChIKey is NWEZMKYUDPTEFW-LAGYLCCXSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-15-11-20(25-21(27)18-9-5-6-10-19(18)22(25)28)23(29)24(13-15)14-17(26)12-16-7-3-2-4-8-16/h2-10,15,17,20,26H,11-14H2,1H3/t15?,17?,20-/m0/s1.
What are the key properties of 2-[(3S)-1-(2-hydroxy-3-phenylpropyl)-5-methyl-2-oxopiperidin-3-yl]isoindole-1,3-dione?
2-[(3S)-1-(2-hydroxy-3-phenylpropyl)-5-methyl-2-oxopiperidin-3-yl]isoindole-1,3-dione has a molecular weight of 392.46 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(2-hydroxy-3-phenylpropyl)-5-methyl-2-oxopiperidin-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 58560181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).