N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]bicyclo[1.1.1]pentane-1-carboxamide

C25H31N3O5 — CID 156792030

IUPACN-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]bicyclo[1.1.1]pentane-1-carboxamide
SMILESO=C1CCC(N2Cc3cc(OCCCCCCNC(=O)C45CC(C4)C5)ccc3C2=O)C(=O)N1
InChIInChI=1S/C25H31N3O5/c29-21-8-7-20(22(30)27-21)28-15-17-11-18(5-6-19(17)23(28)31)33-10-4-2-1-3-9-26-24(32)25-12-16(13-25)14-25/h5-6,11,16,20H,1-4,7-10,12-15H2,(H,26,32)(H,27,29,30)
InChIKeyOUQAGZNHIZUJGK-UHFFFAOYSA-N
MW453.54 g/mol
LogP2.30
Rot. Bonds10

About N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]bicyclo[1.1.1]pentane-1-carboxamide

N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 156792030) has the molecular formula C25H31N3O5 and a molecular weight of 453.54 g/mol. Its IUPAC name is N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

Compound NameN-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]bicyclo[1.1.1]pentane-1-carboxamide
PubChem CID156792030
Molecular FormulaC25H31N3O5
Molecular Weight453.54 g/mol
Exact Mass453.23
IUPAC NameN-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]bicyclo[1.1.1]pentane-1-carboxamide
SMILESO=C1CCC(N2Cc3cc(OCCCCCCNC(=O)C45CC(C4)C5)ccc3C2=O)C(=O)N1
InChIInChI=1S/C25H31N3O5/c29-21-8-7-20(22(30)27-21)28-15-17-11-18(5-6-19(17)23(28)31)33-10-4-2-1-3-9-26-24(32)25-12-16(13-25)14-25/h5-6,11,16,20H,1-4,7-10,12-15H2,(H,26,32)(H,27,29,30)
InChIKeyOUQAGZNHIZUJGK-UHFFFAOYSA-N
XLogP2.30
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]bicyclo[1.1.1]pentane-1-carboxamide with MolForge

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Related Compounds

N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]-3-methylbutanamide
CID 174200047
benzyl N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]pentyl]carbamate
CID 156512176
3-[6-[6-(1H-imidazol-2-ylmethylamino)hexoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156792169
N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 156792138
N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 156792089
3-[6-(2-bromoethoxy)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167272836
3-[6-[2-[2-(3-hydroxypropoxy)ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 165380108
ethane;3-[6-[4-(methylamino)butoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-methylpropyl formate
CID 171072812
3-[6-[6-[[6-(diethylamino)-3-pyridinyl]methylamino]hexoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156791926
tert-butyl N-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pentyl]carbamate
CID 176938730
3-[3-oxo-6-(2-piperidin-1-ylethoxy)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166875832
3-[6-[6-[(1-cyclohexylpyrazol-4-yl)methylamino]hexoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156792048

Frequently Asked Questions

What is the IUPAC name of N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]bicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]bicyclo[1.1.1]pentane-1-carboxamide (CID 156792030) is N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]bicyclo[1.1.1]pentane-1-carboxamide.
What is the SMILES notation for N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]bicyclo[1.1.1]pentane-1-carboxamide?
The canonical SMILES for N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]bicyclo[1.1.1]pentane-1-carboxamide is O=C1CCC(N2Cc3cc(OCCCCCCNC(=O)C45CC(C4)C5)ccc3C2=O)C(=O)N1.
What is the InChIKey of N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]bicyclo[1.1.1]pentane-1-carboxamide?
The InChIKey is OUQAGZNHIZUJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5/c29-21-8-7-20(22(30)27-21)28-15-17-11-18(5-6-19(17)23(28)31)33-10-4-2-1-3-9-26-24(32)25-12-16(13-25)14-25/h5-6,11,16,20H,1-4,7-10,12-15H2,(H,26,32)(H,27,29,30).
What are the key properties of N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]bicyclo[1.1.1]pentane-1-carboxamide?
N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 453.54 g/mol, XLogP of 2.30, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 156792030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).