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

C27H35N3O4 — CID 175628232

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-[1-[(4-ethylcyclohexyl)methyl]piperidin-4-yl]isoindole-1,3-dione
SMILESCCC1CCC(CN2CCC(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1
InChIInChI=1S/C27H35N3O4/c1-2-17-3-5-18(6-4-17)16-29-13-11-19(12-14-29)20-7-8-21-22(15-20)27(34)30(26(21)33)23-9-10-24(31)28-25(23)32/h7-8,15,17-19,23H,2-6,9-14,16H2,1H3,(H,28,31,32)
InChIKeyOWOIJSZDDCCQAY-UHFFFAOYSA-N
MW465.59 g/mol
LogP3.48
Rot. Bonds5

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

2-(2,6-dioxopiperidin-3-yl)-5-[1-[(4-ethylcyclohexyl)methyl]piperidin-4-yl]isoindole-1,3-dione (PubChem CID 175628232) has the molecular formula C27H35N3O4 and a molecular weight of 465.59 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[1-[(4-ethylcyclohexyl)methyl]piperidin-4-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-[1-[(4-ethylcyclohexyl)methyl]piperidin-4-yl]isoindole-1,3-dione
PubChem CID175628232
Molecular FormulaC27H35N3O4
Molecular Weight465.59 g/mol
Exact Mass465.26
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-[1-[(4-ethylcyclohexyl)methyl]piperidin-4-yl]isoindole-1,3-dione
SMILESCCC1CCC(CN2CCC(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1
InChIInChI=1S/C27H35N3O4/c1-2-17-3-5-18(6-4-17)16-29-13-11-19(12-14-29)20-7-8-21-22(15-20)27(34)30(26(21)33)23-9-10-24(31)28-25(23)32/h7-8,15,17-19,23H,2-6,9-14,16H2,1H3,(H,28,31,32)
InChIKeyOWOIJSZDDCCQAY-UHFFFAOYSA-N
XLogP3.48
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.59
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-5-(1-methylpiperidin-4-yl)isoindole-1,3-dione
CID 165380103
2-(2,6-dioxopiperidin-3-yl)-5-[1-(2-piperazin-1-ylethyl)piperidin-4-yl]isoindole-1,3-dione
CID 175835892
2-(2,6-dioxopiperidin-3-yl)-5-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]isoindole-1,3-dione
CID 175951779
2-(2,6-dioxopiperidin-3-yl)-5-piperidin-4-ylisoindole-1,3-dione;ethane
CID 142367515
tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-1-carboxylate
CID 134413948
2-(2,6-dioxopiperidin-3-yl)-5-[3-[(4-methylpiperazin-1-yl)methyl]azetidin-1-yl]isoindole-1,3-dione
CID 156709683
5-[4-[[4-(2,2-dimethoxyethyl)piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 156866654
2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[2-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperidin-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione
CID 165371118
5-[4-[[4-(2,2-dimethoxyethyl)piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;molecular hydrogen
CID 156867003
2-(2,6-dioxopiperidin-3-yl)-5-[[3-(piperazin-1-ylmethyl)azetidin-1-yl]methyl]isoindole-1,3-dione
CID 167730880
5-[1-[[1-[4-[5-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpiperidin-3-yl]benzoyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 170980214
2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane
CID 142365131

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[1-[(4-ethylcyclohexyl)methyl]piperidin-4-yl]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[1-[(4-ethylcyclohexyl)methyl]piperidin-4-yl]isoindole-1,3-dione (CID 175628232) is 2-(2,6-dioxopiperidin-3-yl)-5-[1-[(4-ethylcyclohexyl)methyl]piperidin-4-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[1-[(4-ethylcyclohexyl)methyl]piperidin-4-yl]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[1-[(4-ethylcyclohexyl)methyl]piperidin-4-yl]isoindole-1,3-dione is CCC1CCC(CN2CCC(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-[1-[(4-ethylcyclohexyl)methyl]piperidin-4-yl]isoindole-1,3-dione?
The InChIKey is OWOIJSZDDCCQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O4/c1-2-17-3-5-18(6-4-17)16-29-13-11-19(12-14-29)20-7-8-21-22(15-20)27(34)30(26(21)33)23-9-10-24(31)28-25(23)32/h7-8,15,17-19,23H,2-6,9-14,16H2,1H3,(H,28,31,32).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[1-[(4-ethylcyclohexyl)methyl]piperidin-4-yl]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-[1-[(4-ethylcyclohexyl)methyl]piperidin-4-yl]isoindole-1,3-dione has a molecular weight of 465.59 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-[1-[(4-ethylcyclohexyl)methyl]piperidin-4-yl]isoindole-1,3-dione is sourced from PubChem (CID 175628232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).