2-(2,6-dioxopiperidin-3-yl)-5-(8-pentyl-2,8-diazaspiro[4.5]decan-2-yl)isoindole-1,3-dione

C26H34N4O4 — CID 156729472

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-(8-pentyl-2,8-diazaspiro[4.5]decan-2-yl)isoindole-1,3-dione
SMILESCCCCCN1CCC2(CC1)CCN(c1ccc3c(c1)C(=O)N(C1CCC(=O)NC1=O)C3=O)C2
InChIInChI=1S/C26H34N4O4/c1-2-3-4-12-28-13-9-26(10-14-28)11-15-29(17-26)18-5-6-19-20(16-18)25(34)30(24(19)33)21-7-8-22(31)27-23(21)32/h5-6,16,21H,2-4,7-15,17H2,1H3,(H,27,31,32)
InChIKeyLPQNDFMQRRZYBD-UHFFFAOYSA-N
MW466.58 g/mol
LogP2.57
Rot. Bonds6

About 2-(2,6-dioxopiperidin-3-yl)-5-(8-pentyl-2,8-diazaspiro[4.5]decan-2-yl)isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-(8-pentyl-2,8-diazaspiro[4.5]decan-2-yl)isoindole-1,3-dione (PubChem CID 156729472) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-(8-pentyl-2,8-diazaspiro[4.5]decan-2-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-(8-pentyl-2,8-diazaspiro[4.5]decan-2-yl)isoindole-1,3-dione
PubChem CID156729472
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-(8-pentyl-2,8-diazaspiro[4.5]decan-2-yl)isoindole-1,3-dione
SMILESCCCCCN1CCC2(CC1)CCN(c1ccc3c(c1)C(=O)N(C1CCC(=O)NC1=O)C3=O)C2
InChIInChI=1S/C26H34N4O4/c1-2-3-4-12-28-13-9-26(10-14-28)11-15-29(17-26)18-5-6-19-20(16-18)25(34)30(24(19)33)21-7-8-22(31)27-23(21)32/h5-6,16,21H,2-4,7-15,17H2,1H3,(H,27,31,32)
InChIKeyLPQNDFMQRRZYBD-UHFFFAOYSA-N
XLogP2.57
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(3,3-dimethylpiperidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 175659776
2-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]acetic acid
CID 155677813
5-[4-(4-aminobutyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dihydrochloride
CID 166428469
[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]acetyl] 2,2,2-trifluoroacetate
CID 162482484
2-(2,6-dioxopiperidin-3-yl)-5-(4-hept-6-enylpiperazin-1-yl)isoindole-1,3-dione
CID 176967673
2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-hydroxyethyl)piperazin-1-yl]isoindole-1,3-dione
CID 134414030
5-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 171705610
5-(azetidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 164846090
2-(2,6-dioxopiperidin-3-yl)-5-(4-methylpiperazin-1-yl)isoindole-1,3-dione;ethane
CID 171786631
5-[6-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 176695021
5-[8-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]butyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 154672229
3-[3-oxo-6-(4-pentylpiperazin-1-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 178099790

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-(8-pentyl-2,8-diazaspiro[4.5]decan-2-yl)isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-(8-pentyl-2,8-diazaspiro[4.5]decan-2-yl)isoindole-1,3-dione (CID 156729472) is 2-(2,6-dioxopiperidin-3-yl)-5-(8-pentyl-2,8-diazaspiro[4.5]decan-2-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-(8-pentyl-2,8-diazaspiro[4.5]decan-2-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-(8-pentyl-2,8-diazaspiro[4.5]decan-2-yl)isoindole-1,3-dione is CCCCCN1CCC2(CC1)CCN(c1ccc3c(c1)C(=O)N(C1CCC(=O)NC1=O)C3=O)C2.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-(8-pentyl-2,8-diazaspiro[4.5]decan-2-yl)isoindole-1,3-dione?
The InChIKey is LPQNDFMQRRZYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4/c1-2-3-4-12-28-13-9-26(10-14-28)11-15-29(17-26)18-5-6-19-20(16-18)25(34)30(24(19)33)21-7-8-22(31)27-23(21)32/h5-6,16,21H,2-4,7-15,17H2,1H3,(H,27,31,32).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-(8-pentyl-2,8-diazaspiro[4.5]decan-2-yl)isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-(8-pentyl-2,8-diazaspiro[4.5]decan-2-yl)isoindole-1,3-dione has a molecular weight of 466.58 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-(8-pentyl-2,8-diazaspiro[4.5]decan-2-yl)isoindole-1,3-dione is sourced from PubChem (CID 156729472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).