2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]isoindole-1,3-dione

C27H29N3O6 — CID 166105885

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]isoindole-1,3-dione
SMILESCOCc1ccc(CN2CCC(O)(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)cc1
InChIInChI=1S/C27H29N3O6/c1-36-16-18-4-2-17(3-5-18)15-29-12-10-27(35,11-13-29)19-6-7-20-21(14-19)26(34)30(25(20)33)22-8-9-23(31)28-24(22)32/h2-7,14,22,35H,8-13,15-16H2,1H3,(H,28,31,32)
InChIKeyDGYUMPVYVZIPMI-UHFFFAOYSA-N
MW491.54 g/mol
LogP1.72
Rot. Bonds6

About 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]isoindole-1,3-dione (PubChem CID 166105885) has the molecular formula C27H29N3O6 and a molecular weight of 491.54 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]isoindole-1,3-dione
PubChem CID166105885
Molecular FormulaC27H29N3O6
Molecular Weight491.54 g/mol
Exact Mass491.21
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]isoindole-1,3-dione
SMILESCOCc1ccc(CN2CCC(O)(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)cc1
InChIInChI=1S/C27H29N3O6/c1-36-16-18-4-2-17(3-5-18)15-29-12-10-27(35,11-13-29)19-6-7-20-21(14-19)26(34)30(25(20)33)22-8-9-23(31)28-24(22)32/h2-7,14,22,35H,8-13,15-16H2,1H3,(H,28,31,32)
InChIKeyDGYUMPVYVZIPMI-UHFFFAOYSA-N
XLogP1.72
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.54
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[1-[[4-(difluoromethyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 166105835
2-(2,6-dioxopiperidin-3-yl)-5-[1-[(3-fluoro-4-methylphenyl)methyl]-4-hydroxypiperidin-4-yl]isoindole-1,3-dione
CID 166105729
2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-(1H-indol-5-ylmethyl)piperidin-4-yl]isoindole-1,3-dione
CID 166105733
2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[(3-methyl-4-oxoquinazolin-6-yl)methyl]piperidin-4-yl]isoindole-1,3-dione
CID 166105752
5-[1-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 166105754
5-[1-[[4-(difluoromethoxy)phenyl]methyl]-4-hydroxypiperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 174262156
5-(1-benzyl-4-hydroxy-2-methylpiperidin-4-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 170694205
2-(2,6-dioxopiperidin-3-yl)-5-(4-hydroxypiperidin-4-yl)isoindole-1,3-dione;hydrochloride
CID 170694198
2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-(pyrazolo[1,5-a]pyridin-4-ylmethyl)piperidin-4-yl]isoindole-1,3-dione
CID 171763144
2-(2,6-dioxopiperidin-3-yl)-5-[(4-methylpiperazin-1-yl)methyl]isoindole-1,3-dione
CID 168872542
3-[6-[1-[(4-chlorophenyl)methyl]-4-hydroxypiperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167293520
2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-(piperazin-1-ylmethyl)phenyl]methyl]piperazin-1-yl]isoindole-1,3-dione
CID 165136867

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]isoindole-1,3-dione (CID 166105885) is 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]isoindole-1,3-dione is COCc1ccc(CN2CCC(O)(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)cc1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]isoindole-1,3-dione?
The InChIKey is DGYUMPVYVZIPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O6/c1-36-16-18-4-2-17(3-5-18)15-29-12-10-27(35,11-13-29)19-6-7-20-21(14-19)26(34)30(25(20)33)22-8-9-23(31)28-24(22)32/h2-7,14,22,35H,8-13,15-16H2,1H3,(H,28,31,32).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]isoindole-1,3-dione has a molecular weight of 491.54 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]isoindole-1,3-dione is sourced from PubChem (CID 166105885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).