2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]isoindole-1,3-dione

C23H26N2O4 — CID 3771326

IUPAC2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]isoindole-1,3-dione
SMILESCOc1ccccc1C1CCN(CC(O)CN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C23H26N2O4/c1-29-21-9-5-4-6-18(21)16-10-12-24(13-11-16)14-17(26)15-25-22(27)19-7-2-3-8-20(19)23(25)28/h2-9,16-17,26H,10-15H2,1H3
InChIKeyKQRBIYPVEFXUCB-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.53
Rot. Bonds6

About 2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]isoindole-1,3-dione

2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]isoindole-1,3-dione (PubChem CID 3771326) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]isoindole-1,3-dione
PubChem CID3771326
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]isoindole-1,3-dione
SMILESCOc1ccccc1C1CCN(CC(O)CN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C23H26N2O4/c1-29-21-9-5-4-6-18(21)16-10-12-24(13-11-16)14-17(26)15-25-22(27)19-7-2-3-8-20(19)23(25)28/h2-9,16-17,26H,10-15H2,1H3
InChIKeyKQRBIYPVEFXUCB-UHFFFAOYSA-N
XLogP2.53
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]isoindole-1,3-dione (CID 3771326) is 2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]isoindole-1,3-dione is COc1ccccc1C1CCN(CC(O)CN2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of 2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]isoindole-1,3-dione?
The InChIKey is KQRBIYPVEFXUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-29-21-9-5-4-6-18(21)16-10-12-24(13-11-16)14-17(26)15-25-22(27)19-7-2-3-8-20(19)23(25)28/h2-9,16-17,26H,10-15H2,1H3.
What are the key properties of 2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]isoindole-1,3-dione?
2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]isoindole-1,3-dione has a molecular weight of 394.47 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]isoindole-1,3-dione is sourced from PubChem (CID 3771326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).