2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-(1H-indol-5-ylmethyl)piperidin-4-yl]isoindole-1,3-dione

C27H26N4O5 — CID 166105733

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-(1H-indol-5-ylmethyl)piperidin-4-yl]isoindole-1,3-dione
SMILESC1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)C4(CCN(CC4)CC5=CC6=C(C=C5)NC=C6)O
InChIInChI=1S/C27H26N4O5/c32-23-6-5-22(24(33)29-23)31-25(34)19-3-2-18(14-20(19)26(31)35)27(36)8-11-30(12-9-27)15-16-1-4-21-17(13-16)7-10-28-21/h1-4,7,10,13-14,22,28,36H,5-6,8-9,11-12,15H2,(H,29,32,33)
InChIKeyYNIKPEGHTYRRQL-UHFFFAOYSA-N
MW486.50 g/mol
LogP1.20
Rot. Bonds4

About 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-(1H-indol-5-ylmethyl)piperidin-4-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-(1H-indol-5-ylmethyl)piperidin-4-yl]isoindole-1,3-dione (PubChem CID 166105733) has the molecular formula C27H26N4O5 and a molecular weight of 486.50 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-(1H-indol-5-ylmethyl)piperidin-4-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-(1H-indol-5-ylmethyl)piperidin-4-yl]isoindole-1,3-dione
PubChem CID166105733
Molecular FormulaC27H26N4O5
Molecular Weight486.50 g/mol
Exact Mass486.19
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-(1H-indol-5-ylmethyl)piperidin-4-yl]isoindole-1,3-dione
SMILESC1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)C4(CCN(CC4)CC5=CC6=C(C=C5)NC=C6)O
InChIInChI=1S/C27H26N4O5/c32-23-6-5-22(24(33)29-23)31-25(34)19-3-2-18(14-20(19)26(31)35)27(36)8-11-30(12-9-27)15-16-1-4-21-17(13-16)7-10-28-21/h1-4,7,10,13-14,22,28,36H,5-6,8-9,11-12,15H2,(H,29,32,33)
InChIKeyYNIKPEGHTYRRQL-UHFFFAOYSA-N
XLogP1.20
TPSA123.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity931

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.50
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-(1H-indol-5-ylmethyl)piperidin-4-yl]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-(1H-indol-5-ylmethyl)piperidin-4-yl]isoindole-1,3-dione (CID 166105733) is 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-(1H-indol-5-ylmethyl)piperidin-4-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-(1H-indol-5-ylmethyl)piperidin-4-yl]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-(1H-indol-5-ylmethyl)piperidin-4-yl]isoindole-1,3-dione is C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)C4(CCN(CC4)CC5=CC6=C(C=C5)NC=C6)O.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-(1H-indol-5-ylmethyl)piperidin-4-yl]isoindole-1,3-dione?
The InChIKey is YNIKPEGHTYRRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O5/c32-23-6-5-22(24(33)29-23)31-25(34)19-3-2-18(14-20(19)26(31)35)27(36)8-11-30(12-9-27)15-16-1-4-21-17(13-16)7-10-28-21/h1-4,7,10,13-14,22,28,36H,5-6,8-9,11-12,15H2,(H,29,32,33).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-(1H-indol-5-ylmethyl)piperidin-4-yl]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-(1H-indol-5-ylmethyl)piperidin-4-yl]isoindole-1,3-dione has a molecular weight of 486.50 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-(1H-indol-5-ylmethyl)piperidin-4-yl]isoindole-1,3-dione is sourced from PubChem (CID 166105733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).